data_1v27_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 1v27 _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 ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -141.99 146.4 35.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.5 tp -130.0 140.48 50.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.453 ' HB2' ' CH2' ' A' ' 128' ' ' TRP . 2.0 t -103.46 119.09 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mt -128.05 128.36 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 26' ' ' THR . 8.0 ttmt -100.89 114.21 27.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.458 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 74.8 mt -106.31 151.37 24.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.516 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 41.9 t-105 -158.61 153.65 25.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 107.985 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.449 ' CD1' ' CZ ' ' A' ' 87' ' ' PHE . 31.9 t80 -125.18 110.82 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.76 86.36 7.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -20.25 65.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 88.8 t -55.14 -72.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.79 4.05 81.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 31.4 m170 62.67 59.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.595 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.62 142.48 50.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 92' ' ' LEU . 4.7 tp -94.21 121.29 35.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.458 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.5 mp -98.6 143.02 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.458 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -158.45 101.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -96.39 125.75 41.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.402 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.603 ' CG2' ' CE3' ' A' ' 73' ' ' TRP . 47.1 mm -88.36 91.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.49 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 13.6 mt -55.41 -99.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.59 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.88 166.88 35.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.91 164.77 11.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.563 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.32 167.65 29.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 51.22 44.56 28.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' NH1' ' CD2' ' A' ' 110' ' ' LEU . 4.8 ptp180 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -114.34 92.17 26.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 149.84 37.54 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.2 p90 -162.55 133.43 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.694 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 3.5 t -88.15 162.56 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.4 ' HD3' ' CE2' ' A' ' 49' ' ' TYR . 6.1 ttmt -149.62 108.06 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.496 HD12 ' CG1' ' A' ' 27' ' ' ILE . 3.3 mt -91.44 152.6 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.4 ' CE2' ' HD3' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -153.54 98.18 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -70.78 98.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 27.8 mmt180 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -135.84 152.47 51.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.5 p -99.26 164.8 11.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 110.398 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -61.95 143.38 56.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 m -80.35 112.62 17.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.471 ' CG1' HG23 ' A' ' 68' ' ' THR . 1.3 t -79.23 142.8 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -109.31 135.86 49.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.1 mttt 41.05 89.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.524 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -178.08 111.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.427 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.0 mt -76.25 -17.49 59.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.404 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 6.3 mt-10 -128.45 85.94 59.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 159.98 40.79 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.808 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -145.56 93.08 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.694 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 2.9 m-90 -87.87 -42.69 12.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 107.987 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.442 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER 38.47 36.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.402 ' O ' ' CG2' ' A' ' 26' ' ' THR . 2.9 mm-40 -83.02 -174.87 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.549 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 16.0 m -132.43 143.72 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.57 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 23.9 m-85 -143.93 117.15 8.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.9 mt -107.61 131.06 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.52 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 8.8 m-85 -122.14 112.26 17.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.27 160.69 41.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.1 Cg_endo -75.02 141.25 71.18 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.975 0.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 16.0 t -134.1 120.81 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.46 ' CD2' ' N ' ' A' ' 83' ' ' HIS . 2.5 m170 -102.0 160.89 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.625 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 49.4 tpt85 -68.85 -35.33 76.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -20.36 59.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.092 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.4 mm-40 -71.65 -33.47 68.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.522 ' CG ' ' HB3' ' A' ' 117' ' ' LEU . 6.2 m-30 -43.05 -34.78 1.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -62.74 -43.82 97.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 86' ' ' GLU . 33.1 mt-10 -98.56 6.92 46.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -129.84 117.69 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.441 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 2.8 ttt -129.07 145.99 51.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.461 HD11 ' CD2' ' A' ' 23' ' ' LEU . 8.9 mt -92.8 151.95 19.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.421 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 14.6 tt0 -140.34 98.91 3.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.47 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 1.6 mp -100.76 144.85 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.514 ' HB ' ' CE2' ' A' ' 97' ' ' TRP . 0.7 OUTLIER -146.19 136.66 23.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.8 tp -104.87 129.79 53.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.582 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -134.8 -178.22 4.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.045 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 3.1 t0 -132.52 125.85 31.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 111' ' ' GLY . 48.5 t80 . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.509 0.195 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.413 ' CD2' ' NH1' ' A' ' 42' ' ' ARG . 68.8 mt -88.69 -27.42 21.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.434 ' O ' ' CE1' ' A' ' 109' ' ' PHE . . . 166.65 -178.89 40.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.488 ' CB ' HG23 ' A' ' 95' ' ' THR . 1.7 pt-20 -138.38 137.89 37.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 25.3 mt -123.77 110.96 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.441 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -104.22 132.51 50.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.2 mt -136.39 124.63 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 120' ' ' ALA . 18.1 mt-10 -92.19 115.29 27.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.522 ' HB3' ' CG ' ' A' ' 87' ' ' PHE . 26.3 mt -49.5 -30.35 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -56.43 -51.84 66.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.0 p -111.25 25.87 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 110.413 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -76.99 116.37 17.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -70.95 90.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.41 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 1.4 mt -96.64 116.97 30.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.98 23.73 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.516 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 27.2 t70 47.97 45.8 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.71 150.59 76.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.96 124.5 8.69 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.564 1.823 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 129' ' ' TYR . 0.1 OUTLIER -126.0 135.15 51.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.596 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 96.7 m95 -95.69 113.76 25.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 127' ' ' HIS . 75.2 m-85 -105.34 111.82 24.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.94 147.98 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.06 142.1 27.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -137.32 147.72 45.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.415 HD13 ' CZ3' ' A' ' 73' ' ' TRP . 23.6 tp -128.53 142.47 51.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 m -103.24 115.88 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.22 123.08 61.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' CE ' HD23 ' A' ' 28' ' ' LEU . 7.0 ttmt -99.79 115.22 29.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' HB3' ' CD2' ' A' ' 122' ' ' LEU . 63.7 mt -108.42 148.78 29.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.433 ' CE3' ' HB3' ' A' ' 124' ' ' ASP . 37.0 t-105 -158.0 144.51 17.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 107.994 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.503 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 49.1 t80 -111.39 120.55 42.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -95.78 98.25 10.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -21.25 61.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.3 t -51.66 -71.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.27 3.9 58.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.9 m170 64.45 59.78 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.757 . . . . 0.0 109.6 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.1 150.74 49.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.0 tp -100.41 119.54 38.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.481 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.4 mp -93.02 109.51 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.0 t -115.87 113.2 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.51 121.86 44.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.566 ' CG2' ' CE3' ' A' ' 73' ' ' TRP . 51.1 mm -91.32 93.16 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 11.6 mt -58.1 -98.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.57 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.93 166.26 35.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -96.79 173.83 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.598 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.23 142.92 18.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 59.37 68.81 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 2.2 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -116.31 86.24 17.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 149.33 36.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.443 1.759 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 2.7 p90 -161.33 135.25 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.562 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 8.4 t -90.27 159.34 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.628 ' CD ' ' CE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -149.31 110.87 4.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.477 HD12 ' CG1' ' A' ' 27' ' ' ILE . 3.6 mt -91.83 154.59 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.628 ' CE2' ' CD ' ' A' ' 47' ' ' LYS . 1.1 m-85 -154.68 98.68 2.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.477 ' CE2' ' HG2' ' A' ' 90' ' ' ARG . 26.4 t80 -68.3 96.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.548 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 25.9 mmt180 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 62' ' ' THR . 17.4 ttm180 -131.77 138.68 48.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.41 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 69.8 p -81.45 165.2 21.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.58 144.22 48.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.4 m -80.65 112.37 17.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.359 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.474 ' CG1' HG23 ' A' ' 68' ' ' THR . 1.4 t -79.55 144.88 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -116.93 129.41 56.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt 50.78 87.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.496 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -177.69 113.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.42 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 54.2 mt -74.93 -19.46 60.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.473 ' HG3' ' HA ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -129.41 88.67 49.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.458 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.98 147.73 34.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -133.07 94.73 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.57 ' CZ3' ' HA2' ' A' ' 29' ' ' GLY . 2.9 m-90 -88.38 -42.67 12.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 108.058 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 38.31 37.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -88.31 179.81 6.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -131.91 149.16 52.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.548 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 31.8 m-85 -146.44 113.6 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.7 mt -96.54 125.12 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.524 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.1 m-85 -119.18 112.55 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.491 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.35 161.4 38.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.0 141.51 71.98 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.994 0.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 9.6 t -131.9 110.68 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.487 ' CD2' ' N ' ' A' ' 83' ' ' HIS . 2.5 m170 -90.72 163.03 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.627 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.503 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 9.6 tpt180 -74.37 -30.5 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -16.78 39.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.0 OUTLIER -77.6 -8.84 58.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.465 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 5.4 m-30 -60.3 -55.34 34.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -61.51 -14.73 31.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -102.23 -15.94 16.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.477 ' HG2' ' CE2' ' A' ' 50' ' ' PHE . 2.8 mpt_? -134.16 118.28 17.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.469 ' CE ' HD13 ' A' ' 114' ' ' LEU . 3.2 ttt -115.66 147.89 40.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.46 ' CG ' HD22 ' A' ' 117' ' ' LEU . 10.5 mt -92.44 152.18 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.435 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 13.1 tt0 -145.0 93.13 2.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.8 mp -92.13 147.63 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.523 ' HB ' ' CE2' ' A' ' 97' ' ' TRP . 0.8 OUTLIER -147.25 137.2 23.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.43 ' CD1' HG21 ' A' ' 46' ' ' VAL . 23.0 tp -103.84 132.83 49.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.578 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -139.54 170.6 15.62 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -121.7 120.07 33.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.569 ' CE1' ' O ' ' A' ' 111' ' ' GLY . 66.5 t80 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.498 0.19 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 68.5 mt -76.17 -31.66 58.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.569 ' O ' ' CE1' ' A' ' 109' ' ' PHE . . . 170.04 -167.87 40.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.482 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.7 pt-20 -145.45 144.34 30.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 80.4 mt -128.72 108.76 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.469 HD13 ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -102.24 131.05 49.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.248 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.9 mt -136.94 123.95 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.414 ' CG ' ' HE1' ' A' ' 91' ' ' MET . 23.3 mt-10 -91.17 108.89 20.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.465 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 11.9 mt -43.27 -33.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -54.18 -51.64 63.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.3 p -110.3 29.19 7.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.462 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -83.35 113.07 20.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -67.84 93.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 1.2 mt -97.27 117.93 32.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.401 ' CB ' ' OE2' ' A' ' 125' ' ' GLU . 0.2 OUTLIER -158.17 26.0 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.433 ' HB3' ' CE3' ' A' ' 15' ' ' TRP . 5.7 p-10 44.93 51.65 8.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 125' ' ' GLU . 0.2 OUTLIER -133.61 146.51 60.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.288 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.486 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 122.07 6.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.426 ' CE1' HD21 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -121.24 142.64 49.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.598 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 80.2 m95 -97.68 105.83 18.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 107.998 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 127' ' ' HIS . 47.6 m-85 -98.83 122.35 41.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -68.95 141.23 55.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.6 mt -82.91 148.94 27.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -141.95 140.51 32.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.438 ' CB ' HD13 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -124.33 143.85 50.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.604 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 33.3 m -112.24 114.84 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 27' ' ' ILE . 4.5 mt -125.63 128.23 72.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.444 ' CE ' HD23 ' A' ' 28' ' ' LEU . 4.3 ttmt -104.98 114.83 29.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.465 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 16.0 mt -108.08 153.29 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -158.28 152.2 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 108.027 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.545 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 32.1 t80 -121.03 119.88 33.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -95.45 91.16 6.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -19.98 66.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.1 t -54.92 -71.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.65 3.45 61.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 63.89 55.08 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.605 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.62 135.11 54.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD2' HD13 ' A' ' 92' ' ' LEU . 23.8 tp -89.4 119.15 29.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.473 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.4 mp -95.46 145.85 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.465 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -160.51 97.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -95.71 126.22 40.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.422 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.542 HG21 ' CE3' ' A' ' 73' ' ' TRP . 40.1 mm -87.95 93.55 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 15.6 mt -56.35 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.583 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -159.63 170.43 35.85 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.59 162.09 15.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -144.73 157.38 44.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.03 73.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -112.35 94.94 29.01 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.17 31.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.464 1.771 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.4 p90 -177.5 124.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.493 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 7.9 t -83.93 158.55 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.539 ' CD ' ' CE2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -148.84 108.27 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.477 HD12 ' CG1' ' A' ' 27' ' ' ILE . 2.2 mt -92.0 159.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.539 ' CE2' ' CD ' ' A' ' 47' ' ' LYS . 1.5 m-85 -154.34 98.77 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.559 ' CZ ' ' HD2' ' A' ' 90' ' ' ARG . 47.7 t80 -68.56 89.67 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.42 ' N ' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -131.6 135.79 47.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.338 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.409 ' HB ' ' CD1' ' A' ' 73' ' ' TRP . 77.2 p -84.47 163.0 19.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -59.46 143.23 50.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -80.26 109.76 15.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.465 ' CG1' HG23 ' A' ' 68' ' ' THR . 1.1 t -79.75 141.61 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -113.4 134.4 54.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? 47.66 85.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.26 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -178.78 114.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.502 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 30.0 mt -78.87 -17.82 54.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -126.43 83.59 64.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.287 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.6 Cg_endo -74.96 146.21 32.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.431 1.753 . . . . 0.0 111.005 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -130.75 98.71 4.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.583 ' CZ3' ' HA2' ' A' ' 29' ' ' GLY . 4.6 m-90 -91.91 -44.82 8.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 108.002 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 40.27 37.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.507 ' O ' ' CG2' ' A' ' 26' ' ' THR . 2.5 mm100 -84.81 -177.67 6.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.443 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 2.2 m -130.9 146.75 52.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 76' ' ' THR . 30.4 m-85 -148.55 121.41 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.8 mt -108.94 144.48 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.529 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.1 m-85 -135.71 109.01 7.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.471 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.32 160.57 41.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.964 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.471 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -74.97 142.02 73.51 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.059 -0.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.529 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 14.0 t -133.76 112.31 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -88.85 170.04 11.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.624 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.545 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 8.4 tpt180 -80.55 -32.49 36.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -11.18 59.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.17 -5.35 57.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 90' ' ' ARG . 4.6 m-30 -63.77 -51.4 65.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -66.25 -15.11 62.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -99.16 -19.91 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.559 ' HD2' ' CZ ' ' A' ' 50' ' ' PHE . 22.7 mtt85 -128.13 120.96 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.491 ' HE3' ' CD1' ' A' ' 114' ' ' LEU . 3.1 ttt -119.09 149.96 40.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.458 HD13 ' CD2' ' A' ' 23' ' ' LEU . 10.5 mt -92.3 153.52 19.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -141.21 96.44 2.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.2 mp -96.58 140.57 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.47 HG21 ' CB ' ' A' ' 112' ' ' GLU . 0.6 OUTLIER -143.5 142.29 31.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.42 ' C ' ' CD1' ' A' ' 97' ' ' TRP . 21.1 tp -111.78 142.33 44.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.581 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -145.94 -167.27 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 108.012 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -145.24 119.1 9.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.527 ' CZ ' ' C ' ' A' ' 111' ' ' GLY . 75.5 t80 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.477 0.18 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.0 mt -94.45 -38.4 10.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.527 ' C ' ' CZ ' ' A' ' 109' ' ' PHE . . . 175.56 -177.93 47.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.47 ' CB ' HG21 ' A' ' 95' ' ' THR . 1.5 pt-20 -144.67 131.4 20.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.438 HD13 ' CB ' ' A' ' 10' ' ' LEU . 34.6 mt -117.01 102.66 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.491 ' CD1' ' HE3' ' A' ' 91' ' ' MET . 0.2 OUTLIER -95.98 132.19 41.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.8 mt -137.51 136.1 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -103.86 123.38 47.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.455 ' HA ' ' CB ' ' A' ' 120' ' ' ALA . 11.9 mt -51.18 -29.17 13.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -50.82 -52.29 42.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.9 p -120.2 31.53 6.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -72.31 140.6 48.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.98 89.24 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.5 mt -104.05 107.26 18.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 124' ' ' ASP . 2.0 t0 -173.18 34.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 123' ' ' ASP . 19.6 t0 39.12 48.39 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 4.7 mt-10 -126.95 129.15 24.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 110.233 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.48 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 123.13 7.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -126.13 132.64 51.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.604 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 90.0 m95 -81.81 105.69 13.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 107.978 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -92.02 132.45 36.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -71.85 141.71 49.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.59 140.21 29.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -129.12 138.65 51.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -117.14 138.72 51.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.583 ' OG ' ' CH2' ' A' ' 128' ' ' TRP . 31.1 m -101.28 113.09 25.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mt -126.14 124.52 66.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' CE ' HD23 ' A' ' 28' ' ' LEU . 5.6 ttmt -104.39 116.46 32.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.404 ' CD2' HG23 ' A' ' 25' ' ' VAL . 21.4 mt -109.72 153.6 24.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 19.1 t-105 -158.45 154.7 27.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.004 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.55 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 37.8 t80 -119.99 120.89 37.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.16 86.79 3.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -18.71 58.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.097 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.0 t -55.15 -69.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.66 4.93 61.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.0 m80 59.61 60.15 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.628 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.472 ' CB ' HG21 ' A' ' 78' ' ' ILE . 1.2 mt-30 -129.92 153.84 47.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.438 ' CD2' HD12 ' A' ' 92' ' ' LEU . 11.7 tp -101.89 115.89 31.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.438 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.6 mp -89.84 101.63 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.404 HG23 ' CD2' ' A' ' 14' ' ' LEU . 39.7 t -107.77 106.14 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.4 ' OG1' ' OG1' ' A' ' 76' ' ' THR . 0.9 OUTLIER -103.09 123.3 46.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.374 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.591 HG22 ' CE3' ' A' ' 73' ' ' TRP . 42.4 mm -94.4 91.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 15.0 mt -55.15 -100.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.578 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -159.73 165.91 34.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.49 155.75 18.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.556 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -145.12 165.49 28.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 52.29 54.26 11.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.482 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -120.34 78.86 27.56 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HG2' ' HG3' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -74.98 153.1 41.63 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.619 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 1.5 p90 -175.68 120.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.577 HG22 ' CH2' ' A' ' 73' ' ' TRP . 3.1 t -79.67 157.91 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 61' ' ' ARG . 2.9 ttmm -146.2 111.74 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.473 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.3 mt -90.62 134.24 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.403 ' CD2' ' HD2' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -138.07 98.13 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -73.72 125.5 28.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.411 ' HB3' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -123.17 162.3 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.555 ' HB ' ' CD1' ' A' ' 73' ' ' TRP . 45.3 p -82.87 164.3 20.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -59.31 146.48 39.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -81.02 115.14 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.437 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -91.47 135.58 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -113.68 136.03 53.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt 59.87 73.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.481 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.8 OUTLIER -176.8 114.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 39.1 mt -81.39 -18.69 44.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.438 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.6 mt-10 -127.28 84.48 63.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.543 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.96 160.52 40.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -141.96 90.91 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.591 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.4 m-90 -84.58 -40.43 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 107.94 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.485 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER 36.97 34.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' TRP . 1.9 mm100 -86.82 -179.53 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.4 ' OG1' ' OG1' ' A' ' 26' ' ' THR . 1.1 m -132.9 148.19 52.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -140.52 113.05 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.472 HG21 ' CB ' ' A' ' 22' ' ' GLN . 58.8 mt -95.35 111.92 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.468 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.4 OUTLIER -107.6 112.84 25.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.514 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -145.53 162.72 35.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.514 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.01 142.06 73.62 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.003 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 24.3 t -136.81 105.29 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -91.03 165.19 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.562 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.55 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 9.6 tpt180 -78.8 -22.5 46.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.36 -1.42 55.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -102.01 -11.57 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.462 ' CE2' ' HD2' ' A' ' 84' ' ' ARG . 4.4 m-30 -60.39 -39.44 87.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -84.54 4.56 31.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.46 ' O ' ' NE ' ' A' ' 90' ' ' ARG . 32.8 mt-10 -124.35 4.61 8.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 0.3 OUTLIER -151.66 154.49 36.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 2.2 ttt -143.51 148.95 36.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.438 HD12 ' CD2' ' A' ' 23' ' ' LEU . 6.4 mt -93.01 148.63 21.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -133.61 98.55 4.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.459 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 2.2 mp -101.82 146.09 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.502 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -144.61 152.63 40.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 31.2 tp -116.25 130.74 56.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.566 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -133.96 169.36 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.01 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -124.02 102.16 7.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.441 ' HB2' ' CZ3' ' A' ' 97' ' ' TRP . 13.2 t80 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.514 0.197 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.482 HD13 ' CZ ' ' A' ' 42' ' ' ARG . 93.0 mt -94.07 -57.43 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -159.36 176.57 36.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.502 ' CB ' HG22 ' A' ' 95' ' ' THR . 0.4 OUTLIER -135.71 144.78 46.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.0 mt -129.54 112.01 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.465 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -103.04 131.64 49.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.3 mt -136.62 125.06 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 120' ' ' ALA . 18.4 mt-10 -88.26 123.17 32.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.424 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 15.0 mt -53.0 -31.15 39.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.4 -50.79 71.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.3 p -102.68 22.24 14.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 116' ' ' GLU . . . -74.11 102.5 4.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -64.78 87.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.2 mt -90.93 120.59 32.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -157.97 26.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.562 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 53.0 t0 41.32 39.66 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.64 149.34 64.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.486 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 124.32 8.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -126.1 131.17 52.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.608 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.583 ' CH2' ' OG ' ' A' ' 11' ' ' SER . 96.8 m95 -88.02 117.45 26.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 107.984 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -107.45 115.25 29.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -58.05 142.23 47.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.35 146.87 23.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.245 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.407 ' C ' HD21 ' A' ' 131' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -147.37 128.75 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.524 ' CB ' ' CD1' ' A' ' 113' ' ' ILE . 0.2 OUTLIER -117.98 141.69 48.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.422 ' N ' HD23 ' A' ' 10' ' ' LEU . 66.1 m -105.42 111.17 23.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.2 mt -123.69 122.1 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -103.96 114.83 29.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.424 ' CB ' HD23 ' A' ' 122' ' ' LEU . 12.2 mt -107.2 155.07 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.443 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 10.6 t-105 -157.29 147.4 20.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.416 ' CD1' ' HZ ' ' A' ' 87' ' ' PHE . 46.8 t80 -117.26 128.09 54.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -106.04 91.69 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -20.35 66.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.0 t -50.53 -68.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.54 8.11 47.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.9 m80 60.62 53.31 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.573 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.412 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -121.74 118.9 30.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.528 ' CD1' ' CG2' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -76.52 126.89 31.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.458 HG13 ' CG1' ' A' ' 78' ' ' ILE . 1.7 mp -99.21 131.18 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.528 ' CG2' ' CD1' ' A' ' 23' ' ' LEU . 48.2 t -130.58 119.96 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.34 129.1 54.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.394 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.481 ' CG1' HD12 ' A' ' 48' ' ' ILE . 48.1 mm -101.51 88.43 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 12.1 mt -52.1 -99.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.566 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.59 171.55 35.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.27 155.64 21.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.561 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -143.83 161.63 38.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 58.75 59.89 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.431 ' NH1' HD23 ' A' ' 110' ' ' LEU . 2.4 ptp180 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -117.2 86.03 20.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 138.84 23.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.7 p90 -150.98 131.88 14.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.6 HG21 ' CZ2' ' A' ' 73' ' ' TRP . 13.0 t -83.65 163.1 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 4.2 ttpt -147.81 109.53 4.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.481 HD12 ' CG1' ' A' ' 27' ' ' ILE . 3.3 mt -90.65 152.07 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.466 ' CE2' ' HG2' ' A' ' 47' ' ' LYS . 6.6 m-85 -151.77 98.48 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -67.31 92.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.59 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 62' ' ' THR . 13.6 ttp180 -139.73 142.7 36.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.405 ' O ' ' HG2' ' A' ' 61' ' ' ARG . 59.9 p -81.22 162.82 23.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -57.28 141.77 45.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.9 m -80.09 111.06 16.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.405 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.482 ' CG1' HG21 ' A' ' 68' ' ' THR . 1.5 t -74.03 149.33 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -112.8 118.69 35.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt 50.19 97.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.518 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.9 OUTLIER -177.99 110.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mp -67.51 -23.35 65.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.429 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 4.5 mt-10 -128.11 90.67 46.7 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.576 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -75.01 145.21 31.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -131.49 96.32 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.6 ' CZ2' HG21 ' A' ' 46' ' ' VAL . 4.4 m-90 -91.19 -47.9 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.019 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 2.7 m120 40.4 48.63 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -93.47 179.46 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.6 m -125.65 146.37 49.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.432 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 59.2 m-85 -149.46 113.39 5.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.458 ' CG1' HG13 ' A' ' 24' ' ' ILE . 6.8 mt -103.07 140.61 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 59.3 m-85 -136.13 117.68 14.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.443 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -147.13 158.9 43.93 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.092 . . . . 0.0 110.021 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.443 ' C ' ' HA ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -74.95 142.08 73.69 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.026 -0.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.536 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 19.6 t -134.47 113.82 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -104.7 166.77 10.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -68.57 -50.47 51.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -12.25 28.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.5 mm-40 -84.72 -22.62 29.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.462 ' HB3' ' N ' ' A' ' 118' ' ' GLU . 11.1 m-30 -52.85 -55.87 19.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -15.77 13.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -102.34 -15.54 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -138.73 119.19 13.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.48 ' CG ' ' N ' ' A' ' 92' ' ' LEU . 1.2 ttt -117.31 158.1 24.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.48 ' N ' ' CG ' ' A' ' 91' ' ' MET . 37.7 mt -96.72 148.55 22.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.407 ' HA ' HD21 ' A' ' 114' ' ' LEU . 12.3 tt0 -135.66 91.78 2.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.42 ' CG2' ' CG1' ' A' ' 46' ' ' VAL . 3.4 mp -94.09 131.29 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.569 ' HB ' ' CZ2' ' A' ' 97' ' ' TRP . 0.9 OUTLIER -135.36 144.74 46.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.499 HD12 ' CD1' ' A' ' 110' ' ' LEU . 0.7 OUTLIER -105.76 142.48 35.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.585 ' CZ3' ' HB2' ' A' ' 109' ' ' PHE . 1.1 m95 -149.63 144.23 26.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 108.005 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 1.0 OUTLIER -105.83 109.13 20.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.599 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 65.0 t80 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.514 0.197 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.499 ' CD1' HD12 ' A' ' 96' ' ' LEU . 54.1 mt -87.78 -16.89 32.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.599 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 150.65 169.22 16.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.471 ' CB ' HG21 ' A' ' 95' ' ' THR . 2.7 pt-20 -124.54 136.21 53.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.524 ' CD1' ' CB ' ' A' ' 10' ' ' LEU . 59.2 mt -118.09 104.85 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -93.58 134.63 35.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.4 HD13 ' CG2' ' A' ' 113' ' ' ILE . 4.8 mt -136.89 118.88 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.418 ' CG ' ' HE1' ' A' ' 91' ' ' MET . 41.8 mt-10 -87.64 115.29 24.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.48 HD22 ' CD1' ' A' ' 92' ' ' LEU . 17.2 mt -48.99 -29.78 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.462 ' N ' ' HB3' ' A' ' 87' ' ' PHE . 7.1 tt0 -51.49 -53.79 33.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 8.4 p -118.04 30.95 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.439 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -71.9 140.88 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.2 mt -79.44 89.45 5.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.424 HD23 ' CB ' ' A' ' 14' ' ' LEU . 5.0 mt -101.99 111.34 23.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 124' ' ' ASP . 2.7 t0 -177.07 36.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.443 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 5.5 t0 39.25 33.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -108.89 127.73 26.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.484 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.96 124.02 8.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -125.72 147.09 49.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.613 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.561 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 93.6 m95 -97.73 107.73 20.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 107.977 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -101.15 104.64 15.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.74 151.93 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.693 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -91.94 157.53 16.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 12.1 pt20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.413 ' HG2' ' CG ' ' A' ' 130' ' ' LYS . 33.6 mt-30 -147.11 124.36 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 113' ' ' ILE . 33.9 tp -114.56 141.33 47.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 128' ' ' TRP . 3.9 t -103.09 120.72 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mt -129.75 130.16 66.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -106.77 115.38 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.469 ' HB3' ' CD2' ' A' ' 122' ' ' LEU . 12.7 mt -110.26 152.93 25.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ILE . 9.0 t-105 -158.31 159.22 35.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -125.98 128.31 47.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.406 ' HB3' ' OE1' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -113.59 88.67 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -20.6 63.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.0 t -52.92 -74.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.533 ' CA ' ' OE1' ' A' ' 22' ' ' GLN . . . -88.99 2.45 84.06 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 30.7 m80 61.66 39.13 14.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.536 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -118.83 119.35 34.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.63 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.29 142.27 48.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.138 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.536 ' CD1' ' O ' ' A' ' 22' ' ' GLN . 1.5 mp -111.17 129.32 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.476 HG13 ' CD1' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -145.93 99.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.471 ' CG2' ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -97.82 137.3 36.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.569 HG23 ' CE3' ' A' ' 73' ' ' TRP . 46.0 mm -98.26 93.31 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 16.2 mt -56.69 -100.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.561 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.92 172.05 35.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.49 ' CB ' HD11 ' A' ' 10' ' ' LEU . . . -105.78 170.61 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -160.34 158.5 29.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 54.37 37.29 27.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.449 ' NH1' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -122.83 85.87 50.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HG3' ' NH2' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -75.0 156.43 43.0 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.7 p90 -161.13 130.97 4.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.694 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 4.9 t -87.36 155.8 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -147.0 109.55 4.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.5 mt -91.5 149.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.411 ' N ' HG21 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -152.02 102.2 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.48 ' CZ ' HD13 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -72.38 102.76 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.585 ' HG2' ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 62' ' ' THR . 6.9 ttm180 -138.43 142.21 39.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 110.331 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.45 ' HB ' ' CD1' ' A' ' 73' ' ' TRP . 28.1 p -81.93 160.05 23.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.98 144.62 44.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.9 m -80.53 109.32 14.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.42 ' CG1' HG21 ' A' ' 68' ' ' THR . 1.4 t -76.69 146.19 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -113.56 132.93 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt 44.22 90.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.514 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -179.16 111.97 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.449 HD12 ' NH1' ' A' ' 42' ' ' ARG . 5.7 mp -74.03 -19.1 60.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.8 mt-10 -129.31 89.3 48.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.532 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.2 Cg_endo -74.98 149.9 37.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -135.0 94.43 3.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.694 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 3.3 m-90 -89.24 -41.26 12.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 107.987 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 38.31 36.48 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.471 ' O ' ' CG2' ' A' ' 26' ' ' THR . 2.0 mm100 -85.27 174.18 9.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.464 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 5.8 m -123.22 147.63 46.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.585 ' CE1' ' HG2' ' A' ' 60' ' ' ARG . 28.2 m-85 -146.35 113.21 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 11.1 mt -102.35 138.19 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.564 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 44.6 m-85 -132.76 120.35 21.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.453 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.97 157.58 46.4 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.453 ' C ' ' HA ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -74.96 138.76 57.92 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.042 -0.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.564 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 19.7 t -133.27 108.96 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -103.0 168.67 9.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.617 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -80.33 -14.1 58.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.282 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -6.29 49.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.63 -36.67 14.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.245 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.515 ' CG ' ' HB3' ' A' ' 117' ' ' LEU . 11.9 m-30 -38.12 -52.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -42.32 -48.48 5.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -103.39 26.04 8.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -151.01 114.76 4.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -125.55 149.76 48.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.433 ' CD1' HD22 ' A' ' 117' ' ' LEU . 9.1 mt -95.04 146.95 23.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.41 ' HA ' HD22 ' A' ' 114' ' ' LEU . 9.4 tt0 -130.09 108.38 10.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 113' ' ' ILE . 3.0 mp -108.0 137.94 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.456 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -138.56 146.14 41.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.2 tp -117.92 134.61 54.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -139.19 163.43 32.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 107.987 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.31 107.65 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.31 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.403 ' HD1' ' CZ3' ' A' ' 97' ' ' TRP . 87.9 t80 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.53 0.205 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.3 mt -68.99 -20.55 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 149.34 -172.35 29.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.456 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.3 pt-20 -144.63 134.71 24.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.79 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.497 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 48.6 mt -116.23 114.8 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.462 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.2 OUTLIER -105.89 136.09 46.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.9 mt -137.37 125.47 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 120' ' ' ALA . 25.4 mt-10 -88.61 120.7 30.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.515 ' HB3' ' CG ' ' A' ' 87' ' ' PHE . 11.5 mt -55.87 -29.12 59.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.45 ' N ' ' HB3' ' A' ' 87' ' ' PHE . 2.7 tt0 -55.92 -52.47 64.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.7 p -112.92 26.68 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.452 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -72.17 140.93 49.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 98.7 mt -83.88 90.31 7.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 10.5 mt -102.53 103.1 13.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -161.78 31.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.0 t0 47.34 27.68 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -105.82 121.78 44.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.475 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 125.23 9.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -119.4 173.56 6.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.569 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.564 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 88.7 m95 -121.6 107.36 12.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 108.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -100.34 115.53 30.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.413 ' CG ' ' HG2' ' A' ' 9' ' ' GLN . 13.4 mtmt -63.64 156.72 25.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.674 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -92.13 161.47 14.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -131.36 139.12 49.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 0.729 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 113' ' ' ILE . 0.2 OUTLIER -122.46 141.32 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.505 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 79.0 p -110.49 115.72 30.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.437 HG12 ' CD1' ' A' ' 27' ' ' ILE . 6.2 mt -126.71 129.02 71.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' CE ' HD21 ' A' ' 28' ' ' LEU . 4.1 ttmt -104.33 121.98 44.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 14.9 mt -114.36 153.29 30.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -158.3 150.88 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 12.1 t80 -115.55 127.73 55.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.4 81.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.68 -18.34 30.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.56 -72.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.42 9.06 64.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.7 m80 59.64 63.3 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.631 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.71 143.33 49.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 tp -96.09 117.61 31.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.509 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.4 mp -93.03 124.76 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.445 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -136.42 107.85 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.511 ' CG2' ' O ' ' A' ' 75' ' ' GLN . 1.2 m -105.19 122.77 46.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.546 HG21 ' CE3' ' A' ' 73' ' ' TRP . 44.5 mm -86.38 96.68 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' HA ' ' HA ' ' A' ' 74' ' ' ASN . 15.8 mt -59.05 -100.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.576 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -161.0 161.04 32.58 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.64 159.58 14.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -155.3 164.44 38.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 59.53 27.49 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.417 ' NH1' HD22 ' A' ' 110' ' ' LEU . 1.4 ptp180 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -120.57 88.37 42.93 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.76 42.88 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.773 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 19.3 p90 -167.36 123.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.533 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 4.4 t -81.09 154.09 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -144.13 110.81 5.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.462 HD13 ' CG1' ' A' ' 27' ' ' ILE . 3.3 mt -92.0 157.95 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.543 ' CE2' ' HD2' ' A' ' 47' ' ' LYS . 6.0 m-85 -154.71 99.19 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -66.25 87.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.452 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 19.3 mmt180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 18.8 ttp-105 -135.06 140.71 45.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.4 p -82.76 170.85 14.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -69.96 144.51 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.9 m -80.11 112.98 17.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.488 ' CG1' HG23 ' A' ' 68' ' ' THR . 1.4 t -79.22 152.27 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 67' ' ' LYS . 12.8 mmtt -113.11 126.09 55.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 66' ' ' LYS . 3.0 mttp 44.33 93.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.488 HG23 ' CG1' ' A' ' 65' ' ' VAL . 1.4 t -176.47 117.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.436 ' N ' HD21 ' A' ' 69' ' ' LEU . 2.8 mt -78.75 -20.26 50.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -126.29 83.73 63.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.547 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.5 Cg_endo -74.98 133.34 16.5 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.555 1.818 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -117.41 99.17 6.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.576 ' CZ3' ' HA2' ' A' ' 29' ' ' GLY . 4.8 m-90 -92.24 -42.4 9.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 108.038 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.467 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER 38.02 36.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.511 ' O ' ' CG2' ' A' ' 26' ' ' THR . 2.1 mm100 -85.69 173.81 9.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.413 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 1.4 m -125.71 145.81 50.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.452 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 35.7 m-85 -146.71 114.32 6.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.8 mt -98.09 136.84 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.504 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.2 m-85 -126.63 111.83 14.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.475 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -146.1 160.95 41.45 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.475 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.5 Cg_endo -74.96 141.14 70.89 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.051 -2.479 . . . . 0.0 111.016 -0.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 19.9 t -135.17 115.49 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -99.77 156.32 17.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.583 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.475 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 3.9 tpt180 -70.31 -20.55 63.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.407 ' NE ' ' HG2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -87.72 -12.01 46.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.407 ' HG2' ' NE ' ' A' ' 85' ' ' ARG . 1.6 mm-40 -91.91 -3.86 55.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -64.02 -42.64 97.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.33 1.81 20.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -122.08 -0.65 9.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.74 132.43 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -129.15 154.97 46.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.468 HD21 ' CD2' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -95.37 153.13 17.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.522 ' HG3' ' CD1' ' A' ' 114' ' ' LEU . 12.9 tt0 -138.41 91.98 2.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.8 139.5 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.494 ' CG2' ' HB2' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -133.09 144.62 50.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.41 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.3 tp -122.58 132.41 54.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.583 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -140.3 -179.14 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 107.971 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -131.64 114.94 15.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 75.1 t80 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.495 0.188 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.417 HD22 ' NH1' ' A' ' 42' ' ' ARG . 16.7 mt -68.99 -31.21 69.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 143.84 152.33 5.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.494 ' HB2' ' CG2' ' A' ' 95' ' ' THR . 1.1 pt-20 -114.48 151.21 33.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 76.4 mt -121.04 101.39 10.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.522 ' CD1' ' HG3' ' A' ' 93' ' ' GLU . 1.3 mp -91.54 146.96 23.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 114' ' ' LEU . 2.0 mp -142.64 139.52 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -100.15 108.83 21.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.468 ' CD2' HD21 ' A' ' 92' ' ' LEU . 7.8 mt -45.98 -30.15 1.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -59.9 -45.68 91.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.5 p -112.21 22.36 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -78.39 117.06 19.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -74.82 86.9 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.91 125.98 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.9 t0 177.85 38.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.5 t70 40.41 39.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -111.35 120.65 42.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.461 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.07 122.45 7.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -126.36 142.69 51.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.531 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 96.2 m95 -92.18 106.9 18.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -95.69 134.07 39.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -75.26 144.05 42.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.25 150.46 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -148.2 123.73 10.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.454 ' CB ' HD13 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -110.52 136.55 49.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.591 ' OG ' ' CE3' ' A' ' 128' ' ' TRP . 37.6 m -99.88 120.87 40.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 mt -131.62 125.24 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.6 ttmt -101.27 114.4 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.455 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 15.9 mt -107.74 154.85 20.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.491 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 29.7 t-105 -158.66 159.82 35.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 107.981 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.409 ' HB2' ' CD1' ' A' ' 122' ' ' LEU . 32.2 t80 -125.61 120.41 30.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -100.31 82.89 2.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -18.52 45.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.5 t -52.78 -65.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.96 5.56 42.64 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 63.52 59.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.586 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.55 139.47 52.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.478 ' CD2' HD13 ' A' ' 92' ' ' LEU . 25.8 tp -91.13 118.36 30.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.442 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.6 mp -93.4 131.88 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.455 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -145.6 105.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 75' ' ' GLN . 1.1 m -103.04 122.23 44.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.518 HG21 ' CE3' ' A' ' 73' ' ' TRP . 36.9 mm -85.81 100.35 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 12.8 mt -64.79 -99.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.46 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -154.11 171.82 32.73 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.12 159.11 18.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.553 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -151.36 169.82 21.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 62.96 25.72 15.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.406 ' NH1' ' OD2' ' A' ' 98' ' ' ASP . 4.9 ptp180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -116.66 81.46 11.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.8 32.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.458 1.767 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.5 p90 -175.47 135.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.711 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 3.3 t -92.14 160.48 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -149.66 105.07 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.501 HD13 ' CG1' ' A' ' 27' ' ' ILE . 2.3 mt -92.4 150.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.449 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -154.99 98.07 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.451 ' CZ ' ' HD3' ' A' ' 90' ' ' ARG . 0.3 OUTLIER -58.68 109.23 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 49' ' ' TYR . 3.8 mp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -126.89 136.32 52.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.1 p -81.92 166.68 19.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.41 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.09 145.19 43.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.7 m -81.16 110.31 16.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.452 ' CG1' HG21 ' A' ' 68' ' ' THR . 1.5 t -77.67 149.09 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -122.86 128.3 50.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt 53.85 85.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.504 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -178.52 113.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.358 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.61 -22.3 61.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.438 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 4.7 mt-10 -130.18 92.59 35.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.611 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.2 Cg_endo -75.03 147.53 33.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HG3' ' C ' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -127.2 95.07 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.711 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 4.8 m-90 -88.87 -45.79 9.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 108.023 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER 40.48 33.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.508 ' O ' ' CG2' ' A' ' 26' ' ' THR . 0.6 OUTLIER -83.38 -177.28 6.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.9 m -132.82 139.25 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -140.64 116.2 10.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.6 mt -101.85 146.69 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.532 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.3 m-85 -136.55 110.52 8.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.62 160.52 41.14 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.47 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -74.97 141.51 71.99 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.979 0.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 6.7 t -131.55 119.35 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -102.19 168.23 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.576 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -84.23 -19.92 33.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.367 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.35 -3.99 58.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.11 -29.18 13.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 6.8 m-30 -44.42 -55.12 5.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -45.35 -53.78 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -89.99 29.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.451 ' HD3' ' CZ ' ' A' ' 50' ' ' PHE . 2.5 mtt180 -142.54 142.07 32.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.585 ' HA ' ' CD1' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -152.38 135.07 15.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.478 HD13 ' CD2' ' A' ' 23' ' ' LEU . 1.4 mt -92.0 131.06 37.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 24.5 tt0 -115.34 98.21 6.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.35 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.444 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 3.0 mp -91.92 145.85 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.532 ' HB ' ' CE2' ' A' ' 97' ' ' TRP . 0.8 OUTLIER -144.44 140.36 28.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.468 ' CD1' HG23 ' A' ' 46' ' ' VAL . 27.0 tp -114.0 135.9 53.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.532 ' CE2' ' HB ' ' A' ' 95' ' ' THR . 0.1 OUTLIER -142.94 165.78 26.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 107.988 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.406 ' OD2' ' NH1' ' A' ' 42' ' ' ARG . 3.3 t0 -120.83 104.94 10.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.414 ' CD1' ' CZ3' ' A' ' 97' ' ' TRP . 36.9 t80 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.538 0.209 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.58 -33.77 66.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.79 -178.66 36.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.471 ' CB ' HG21 ' A' ' 95' ' ' THR . 3.0 pt-20 -137.64 136.64 37.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 0.79 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.454 HD13 ' CB ' ' A' ' 10' ' ' LEU . 70.8 mt -114.68 111.98 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.467 HD12 ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -95.4 133.69 39.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mt -140.54 143.43 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 6.6 mt-10 -109.95 139.45 45.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.585 ' CD1' ' HA ' ' A' ' 91' ' ' MET . 1.8 mp -77.26 -16.21 59.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -57.8 -38.02 74.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.344 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 67.7 p -134.25 10.14 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -40.26 136.44 1.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.46 87.39 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.409 ' CD1' ' HB2' ' A' ' 16' ' ' PHE . 43.8 mt -97.93 77.45 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.22 2.85 9.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.491 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 27.5 t70 61.58 26.22 15.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.99 150.85 45.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.481 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 121.85 6.84 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -125.9 131.82 52.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.591 ' CE3' ' OG ' ' A' ' 11' ' ' SER . 96.0 m95 -83.49 137.86 33.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -131.89 122.27 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 153.74 34.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.65 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -90.81 159.75 16.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -140.86 138.93 34.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 113' ' ' ILE . 44.6 tp -118.35 153.68 33.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.1 m -111.51 109.3 19.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.957 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 mt -120.32 121.83 66.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -100.1 114.96 28.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.465 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 18.0 mt -107.23 151.57 25.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.0 t-105 -158.52 152.18 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 108.014 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -114.39 131.79 56.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.66 94.01 4.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -21.97 63.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.7 t -51.94 -68.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.89 5.2 53.4 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.5 m170 62.1 64.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.633 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.405 ' CB ' HG23 ' A' ' 78' ' ' ILE . 1.0 OUTLIER -132.21 148.12 52.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.9 tp -98.89 119.82 38.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.5 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.4 mp -94.72 130.51 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.465 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -141.6 101.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 75' ' ' GLN . 1.3 m -96.43 121.18 37.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.422 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.606 ' CG2' ' CE3' ' A' ' 73' ' ' TRP . 49.5 mm -85.28 89.37 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 11.1 mt -54.91 -98.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.576 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -159.8 172.41 36.35 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.438 ' CB ' HD11 ' A' ' 10' ' ' LEU . . . -110.45 170.7 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.85 171.1 21.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' LYS . 88.2 m-20 39.85 43.54 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.469 ' CD ' ' HB2' ' A' ' 98' ' ' ASP . 1.3 ptt-85 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 66' ' ' LYS . 3.2 m-20 -114.62 87.28 14.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -74.96 156.67 43.17 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 5.1 p90 -167.63 134.2 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.469 HG23 ' CH2' ' A' ' 73' ' ' TRP . 22.6 t -91.85 155.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.18 109.91 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.482 HD13 ' CG1' ' A' ' 27' ' ' ILE . 3.5 mt -91.4 150.09 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -155.36 97.92 1.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.631 ' CE2' ' HG2' ' A' ' 90' ' ' ARG . 23.1 t80 -64.3 120.96 13.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.558 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 25.7 mmt180 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -139.37 136.88 35.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.7 p -82.18 165.31 20.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -58.84 145.22 41.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.8 m -80.58 110.66 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.445 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.466 ' CG1' HG23 ' A' ' 68' ' ' THR . 1.9 t -72.27 156.19 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HD3' ' ND2' ' A' ' 43' ' ' ASN . 12.7 mmtt -118.07 127.48 53.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 66' ' ' LYS . 13.4 mttt 41.51 91.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.55 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -179.42 108.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.162 . . . . 0.0 110.374 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -69.5 -22.54 63.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.409 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.6 mt-10 -122.56 87.58 49.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.567 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.98 152.09 40.44 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -136.3 94.3 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.606 ' CE3' ' CG2' ' A' ' 27' ' ' ILE . 2.5 m-90 -90.5 -41.36 11.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 108.035 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER 39.36 34.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.509 ' O ' ' CG2' ' A' ' 26' ' ' THR . 1.7 mm100 -83.85 -179.07 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.4 m -129.51 144.61 51.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.558 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 46.7 m-85 -143.15 113.62 7.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.405 HG23 ' CB ' ' A' ' 22' ' ' GLN . 32.4 mt -98.55 128.98 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.512 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.4 m-85 -120.35 111.33 17.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.5 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -146.22 162.09 36.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.044 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.5 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.2 Cg_endo -75.0 141.09 70.74 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.999 0.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 16.0 t -133.4 117.7 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -101.62 157.08 17.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.602 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -66.18 -39.61 89.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -28.3 66.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.46 -38.34 86.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -38.12 -53.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -46.51 -49.96 17.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.19 48.16 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.355 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.631 ' HG2' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -169.89 141.29 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.487 ' CE ' ' HG2' ' A' ' 116' ' ' GLU . 2.3 ttm -148.04 146.32 28.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.584 HD22 ' CE1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -93.1 154.02 18.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.511 ' HG3' ' CD1' ' A' ' 114' ' ' LEU . 15.6 tt0 -138.6 91.82 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.1 mp -88.17 140.33 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -131.23 146.33 52.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.393 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 34.1 tp -127.79 132.99 49.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -142.13 -169.75 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 107.955 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.469 ' HB2' ' CD ' ' A' ' 42' ' ' ARG . 3.0 t0 -139.74 120.15 13.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.526 ' CE2' ' HA2' ' A' ' 111' ' ' GLY . 82.6 t80 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.506 0.193 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.429 HD22 ' CZ ' ' A' ' 42' ' ' ARG . 21.4 mt -58.61 -29.79 66.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 109' ' ' PHE . . . 138.39 150.68 5.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.459 ' HB2' ' CG2' ' A' ' 95' ' ' THR . 0.9 OUTLIER -109.14 158.9 17.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 82.9 mt -127.43 102.25 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.511 ' CD1' ' HG3' ' A' ' 93' ' ' GLU . 2.4 mp -93.0 146.37 23.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 114' ' ' LEU . 2.1 mp -143.09 129.19 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.487 ' HG2' ' CE ' ' A' ' 91' ' ' MET . 38.6 mt-10 -85.3 107.3 17.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.45 ' HA ' ' CB ' ' A' ' 120' ' ' ALA . 9.5 mt -43.53 -31.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.03 -45.6 92.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 116' ' ' GLU . 73.9 p -111.01 21.57 16.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.45 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -76.0 101.92 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.566 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 4.0 pp -63.53 95.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 1.6 mt -100.21 114.29 27.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -159.46 28.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 49.1 t0 47.57 43.24 15.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 3.9 mt-10 -121.35 132.86 24.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.485 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.98 123.92 8.25 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.77 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -126.15 144.55 50.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 109.585 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.586 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 97.8 m95 -94.41 106.01 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 127' ' ' HIS . 29.0 m-85 -99.58 118.98 37.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 147.63 42.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.404 ' CD2' ' O ' ' A' ' 111' ' ' GLY . 1.1 mt -90.0 153.72 20.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -142.27 135.28 28.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 113' ' ' ILE . 0.2 OUTLIER -115.03 136.0 53.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.586 ' HB2' ' CH2' ' A' ' 128' ' ' TRP . 1.7 t -100.87 126.62 47.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 11' ' ' SER . 8.4 mt -141.74 148.78 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HG3' ' CD ' ' A' ' 126' ' ' PRO . 0.5 OUTLIER -124.27 114.28 19.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.494 ' HB3' ' CD2' ' A' ' 122' ' ' LEU . 0.3 OUTLIER -109.46 157.4 19.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -158.53 148.86 19.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 107.991 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -114.22 130.35 56.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.34 83.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -19.36 57.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.46 -69.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.43 7.61 78.17 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 52.18 48.25 23.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.54 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.73 142.29 51.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' CD2' HD13 ' A' ' 117' ' ' LEU . 15.0 tp -95.45 115.91 28.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.499 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.4 mp -88.57 137.46 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -152.22 128.76 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.479 HG23 ' CD1' ' A' ' 28' ' ' LEU . 1.3 m -125.92 126.99 45.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.574 HG21 ' CE3' ' A' ' 73' ' ' TRP . 44.7 mm -87.25 87.09 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.533 ' CD1' ' N ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -50.71 -99.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.59 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.33 165.86 35.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.7 168.93 9.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.588 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.01 160.09 39.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 58.9 45.34 15.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.1 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -117.17 81.25 12.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 165.37 31.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.791 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 28.5 p90 -168.93 123.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.71 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 6.3 t -74.88 161.07 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.401 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -146.38 111.31 5.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.354 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.457 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.1 mt -94.06 150.71 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.401 ' CE2' ' HD2' ' A' ' 47' ' ' LYS . 2.4 m-85 -154.38 103.79 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.452 ' CE2' ' HD3' ' A' ' 90' ' ' ARG . 37.0 t80 -73.63 94.82 2.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.568 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 62' ' ' THR . 6.5 ttm180 -129.0 140.71 51.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.407 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 75.0 p -83.32 168.48 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.3 141.83 57.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.3 m -80.4 113.04 18.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG1' HG22 ' A' ' 68' ' ' THR . 2.1 t -71.76 153.93 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 67' ' ' LYS . 17.0 mmtt -115.05 117.2 29.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 66' ' ' LYS . 47.7 mttt 47.99 97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.481 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.8 OUTLIER -176.12 114.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.393 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.19 -23.49 62.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.437 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 3.2 mt-10 -128.28 92.47 41.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.509 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.2 Cg_endo -75.04 158.57 41.96 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -144.47 99.4 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.71 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 2.3 m-90 -98.69 -49.09 4.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 107.968 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER 40.27 38.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.452 ' O ' ' CG2' ' A' ' 26' ' ' THR . 3.3 mm100 -80.95 172.53 13.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.6 m -110.39 142.1 42.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 53.0 m-85 -149.55 113.78 5.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.5 mt -103.9 145.86 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.532 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 10.3 m-85 -136.06 112.15 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.35 160.72 41.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.971 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -75.03 141.77 72.72 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.987 0.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 14.2 t -133.38 127.25 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -113.61 167.31 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.595 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.434 ' HD2' ' CE2' ' A' ' 87' ' ' PHE . 5.9 tpt180 -80.01 -15.36 57.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.17 -3.01 48.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.3 mm-40 -100.16 -6.95 25.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.497 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 7.6 m-30 -61.32 -49.55 76.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -67.38 -8.53 33.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -112.77 -10.15 13.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.452 ' HD3' ' CE2' ' A' ' 50' ' ' PHE . 52.8 mtt180 -138.44 128.52 25.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.475 ' HE2' ' CD1' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -128.34 150.7 49.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.446 ' CD2' HD22 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -96.18 144.25 26.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.444 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 9.3 tt0 -131.87 98.29 4.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.427 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 2.9 mp -97.73 129.89 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -130.66 138.13 49.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 46' ' ' VAL . 28.7 tp -108.46 129.68 55.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.576 ' CE3' ' HB2' ' A' ' 109' ' ' PHE . 4.6 m95 -128.28 174.53 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 0.5 OUTLIER -135.67 116.3 13.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.576 ' HB2' ' CE3' ' A' ' 97' ' ' TRP . 93.4 t80 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.518 0.199 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.7 mt -86.27 -25.24 25.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.14 -178.0 36.37 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.434 ' HB2' ' CG2' ' A' ' 95' ' ' THR . 1.2 pt-20 -139.32 143.6 37.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 40.6 mt -126.37 117.29 48.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.475 ' CD1' ' HE2' ' A' ' 91' ' ' MET . 0.1 OUTLIER -104.86 135.39 46.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 5.2 mt -133.98 128.1 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 119' ' ' THR . 9.3 mt-10 -97.19 108.46 21.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.497 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 18.4 mt -45.71 -27.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -58.28 -39.45 79.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 116' ' ' GLU . 71.9 p -125.29 30.75 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.435 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -83.83 109.64 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.592 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 4.0 pp -68.45 97.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.494 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 1.5 mt -104.89 125.06 50.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 125' ' ' GLU . 6.5 t0 179.72 44.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 124' ' ' ASP . 26.2 t0 47.62 24.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 123' ' ' ASP . 14.7 mt-10 -111.6 102.7 53.94 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.546 ' CD ' ' HG3' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.01 135.59 19.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -126.4 150.57 48.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.588 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 84.6 m95 -86.91 107.27 18.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -90.83 135.78 33.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -71.46 141.28 50.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.98 154.69 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -137.55 130.52 30.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -114.27 136.77 52.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.495 ' OG ' ' CE2' ' A' ' 128' ' ' TRP . 67.2 m -99.88 115.98 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.8 mt -132.07 129.56 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -105.02 113.89 27.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' A' ' 115' ' ' ILE . 65.4 mt -105.04 151.12 24.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.461 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 6.4 t-105 -159.03 148.53 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 107.97 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CD1' ' CZ ' ' A' ' 87' ' ' PHE . 63.5 t80 -111.08 138.27 47.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.478 ' CG ' HG23 ' A' ' 19' ' ' VAL . 18.5 t70 -113.52 108.69 17.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.88 -26.79 19.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.478 HG23 ' CG ' ' A' ' 17' ' ' ASP . 27.0 m -55.83 -60.57 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.474 ' N ' ' OD2' ' A' ' 17' ' ' ASP . . . -97.84 2.85 60.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.115 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 80' ' ' SER . 56.9 m-70 58.96 63.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.767 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -138.8 159.98 40.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 82' ' ' VAL . 6.1 tp -110.09 122.12 46.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.507 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.4 mp -93.89 148.03 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.461 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -162.46 103.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 75' ' ' GLN . 1.1 m -101.29 128.79 47.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.536 HG22 ' CE3' ' A' ' 73' ' ' TRP . 48.6 mm -92.67 93.7 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 12.6 mt -57.02 -99.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.563 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.6 168.84 34.92 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.63 162.24 13.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.571 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -149.63 164.3 35.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 50.54 55.6 9.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -120.46 84.63 36.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.55 42.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.591 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 2.2 p90 -173.05 122.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.575 HG21 ' CZ3' ' A' ' 73' ' ' TRP . 16.8 t -73.77 161.01 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -149.96 110.89 4.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mt -91.35 157.09 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -155.2 98.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -68.98 88.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.542 ' HD2' ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.97 162.5 24.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.576 ' HB ' ' CD1' ' A' ' 73' ' ' TRP . 39.1 p -81.77 166.1 20.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.95 148.27 35.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.8 m -80.71 112.05 17.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.481 ' CG1' HG23 ' A' ' 68' ' ' THR . 0.7 OUTLIER -81.91 142.07 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 67' ' ' LYS . 14.7 mmtt -106.03 130.3 53.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER 43.41 93.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.481 HG23 ' CG1' ' A' ' 65' ' ' VAL . 1.3 t -175.88 119.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.444 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.2 mt -81.44 -19.79 41.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.435 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.8 mt-10 -129.87 85.55 57.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.571 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.2 Cg_endo -74.95 141.23 26.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -124.79 98.66 5.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.576 ' CD1' ' HB ' ' A' ' 62' ' ' THR . 3.6 m-90 -92.06 -43.94 9.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 107.98 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 1.1 m-80 38.71 39.09 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.498 ' O ' ' CG2' ' A' ' 26' ' ' THR . 1.3 mm100 -85.85 -175.19 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 m -133.94 135.7 43.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.542 ' CE1' ' HD2' ' A' ' 60' ' ' ARG . 47.5 m-85 -138.01 119.22 14.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.47 ' CG1' HG13 ' A' ' 24' ' ' ILE . 5.8 mt -110.74 139.31 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.516 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 84.8 m-85 -129.08 119.89 24.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.499 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -145.65 161.57 40.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.499 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.1 Cg_endo -75.05 143.28 77.26 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.959 0.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 19.5 t -135.59 118.72 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -105.65 159.99 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.598 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 tpt85 -73.56 -19.68 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -9.32 49.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -93.55 -11.2 32.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.524 ' CZ ' ' CD1' ' A' ' 16' ' ' PHE . 2.6 m-30 -55.16 -39.16 69.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -83.54 0.94 44.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -105.01 -20.4 13.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -145.38 148.31 33.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.406 ' CE ' ' HG2' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -131.42 153.53 49.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.468 ' CD2' HD22 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -93.65 147.55 22.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.452 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 14.9 tt0 -136.53 102.02 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.494 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 2.2 mp -98.8 140.35 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.476 HG21 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -143.2 144.15 32.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 110.364 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.436 ' CD1' HG23 ' A' ' 46' ' ' VAL . 16.7 tp -107.64 134.76 50.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.58 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 1.1 m95 -138.04 162.88 32.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -124.44 98.48 5.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.4 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.517 0.199 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.6 mt -79.12 -51.72 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -171.84 -175.51 40.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.476 ' CB ' HG21 ' A' ' 95' ' ' THR . 2.3 pt-20 -140.85 137.77 33.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 59.0 mt -126.47 114.99 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.452 ' CD2' ' HG3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -101.94 135.0 44.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.473 HG21 ' CD1' ' A' ' 14' ' ' LEU . 3.9 mt -136.72 117.51 17.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.406 ' HG2' ' CE ' ' A' ' 91' ' ' MET . 29.9 mt-10 -86.83 111.51 20.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.489 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 24.5 mt -44.22 -34.17 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -53.93 -52.71 59.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.8 p -111.2 28.14 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -78.91 108.95 12.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.591 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 4.0 pp -63.71 95.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 15' ' ' TRP . 1.2 mt -103.84 120.83 41.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -170.12 34.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.461 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 35.0 t0 41.75 37.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -114.61 128.21 26.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.468 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.99 123.25 7.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -125.45 150.15 47.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.638 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 91.8 m95 -97.95 105.03 17.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -95.02 120.96 36.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -60.45 143.59 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.1 mt -89.86 144.24 26.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -145.79 128.87 16.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.486 ' HB3' ' CD1' ' A' ' 113' ' ' ILE . 0.2 OUTLIER -120.15 137.03 54.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.609 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 68.5 m -100.73 107.87 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.8 mt -120.9 123.84 71.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG3' ' CA ' ' A' ' 126' ' ' PRO . 3.6 ttmt -100.87 114.37 28.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.468 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 18.5 mt -105.19 154.85 19.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -158.44 147.14 18.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.42 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 28.9 t80 -112.97 115.33 28.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -91.62 79.81 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -17.63 30.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.3 t -55.15 -65.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.24 5.51 45.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.4 m170 64.15 57.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.59 136.6 52.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 tp -88.74 119.58 29.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.425 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.6 mp -95.31 141.85 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.468 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -153.89 105.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.36 118.97 38.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.582 HG23 ' CE3' ' A' ' 73' ' ' TRP . 49.5 mm -81.34 95.94 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 11.6 mt -61.6 -97.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.574 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.43 164.71 33.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.51 162.01 13.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -154.16 163.56 39.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 59.21 46.04 13.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.492 ' CZ ' HD21 ' A' ' 69' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -116.51 86.38 18.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 160.8 39.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 4.9 p90 -169.12 142.43 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.611 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 13.1 t -99.05 153.86 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -141.76 106.21 4.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.476 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.1 mt -91.74 152.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.405 ' N ' HG21 ' A' ' 48' ' ' ILE . 2.2 m-85 -154.85 98.58 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.427 ' CD1' ' CD2' ' A' ' 92' ' ' LEU . 53.6 t80 -65.27 99.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.401 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 35.2 mmt180 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 62' ' ' THR . 51.8 ttp180 -138.59 143.87 39.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.374 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.415 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 74.3 p -88.22 161.31 17.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.19 143.54 43.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.3 m -80.04 110.86 15.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 110.427 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.1 t -78.84 142.46 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -117.42 127.5 54.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt 58.9 83.55 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.524 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -179.7 111.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.412 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.492 HD21 ' CZ ' ' A' ' 42' ' ' ARG . 14.3 mt -72.97 -19.73 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.432 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 5.6 mt-10 -129.84 89.99 44.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.343 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.587 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.99 151.02 39.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.793 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -135.42 93.97 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.611 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 3.4 m-90 -87.98 -40.36 13.95 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.477 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER 38.97 33.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 73' ' ' TRP . 0.8 OUTLIER -82.83 177.6 8.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 110.341 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.423 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 1.2 m -127.16 148.63 50.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.423 ' CD1' ' O ' ' A' ' 76' ' ' THR . 38.1 m-85 -149.12 125.2 10.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mt -110.91 144.41 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.518 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 11.5 m-85 -136.19 111.68 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.483 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.15 161.08 40.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.483 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.1 Cg_endo -75.07 141.43 71.67 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.96 0.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 17.5 t -134.13 115.42 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 83' ' ' HIS . 0.9 OUTLIER -96.49 159.76 14.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 109.605 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.42 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 9.1 tpt180 -69.82 -33.87 72.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -17.95 54.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.34 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' ARG . 2.9 mm-40 -78.49 -15.14 58.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.408 ' CG ' ' HB3' ' A' ' 117' ' ' LEU . 6.9 m-30 -54.99 -50.82 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -65.39 -13.91 59.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -108.38 -4.06 17.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -142.91 120.6 11.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.4 ' SD ' HD22 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -120.98 148.54 43.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.427 ' CD2' ' CD1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -92.44 145.19 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.504 ' HG3' ' CD1' ' A' ' 114' ' ' LEU . 10.6 tt0 -131.71 91.99 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.1 149.14 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' A' ' 112' ' ' GLU . 1.3 p -141.34 145.5 35.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.423 ' CD1' HG22 ' A' ' 46' ' ' VAL . 28.9 tp -128.96 131.1 47.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.575 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -143.12 168.64 19.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 108.023 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' CG ' ' HB2' ' A' ' 42' ' ' ARG . 1.8 t0 -119.34 105.59 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.528 0.204 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 72.7 mt -69.41 -14.91 63.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.32 154.66 7.9 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.487 ' HB2' ' CG2' ' A' ' 95' ' ' THR . 1.1 pt-20 -111.15 147.66 34.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 71.9 mt -119.06 101.75 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.504 ' CD1' ' HG3' ' A' ' 93' ' ' GLU . 1.4 mp -93.47 145.18 24.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 mp -142.05 122.88 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 119' ' ' THR . 38.5 mt-10 -84.26 104.84 14.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.465 ' HA ' ' CB ' ' A' ' 120' ' ' ALA . 16.6 mt -40.22 -32.63 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.02 -50.28 69.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 116' ' ' GLU . 76.1 p -110.86 28.37 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -83.37 106.02 14.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -67.91 89.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -91.61 128.95 37.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -179.07 38.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.1 t70 41.17 38.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -110.6 121.05 42.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.491 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.93 122.1 7.02 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -126.36 156.54 40.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.564 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.609 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 98.9 m95 -102.23 107.48 18.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 107.993 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -99.62 107.2 19.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.82 148.96 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.68 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -85.31 161.08 19.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -147.16 126.34 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.275 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.46 ' CD1' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -113.78 137.21 51.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.593 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 72.3 m -99.58 110.85 23.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.424 HG12 ' CD1' ' A' ' 27' ' ' ILE . 5.6 mt -122.37 121.86 64.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' CE ' HD23 ' A' ' 28' ' ' LEU . 5.0 ttmt -100.83 114.88 29.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.477 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 9.2 mt -107.6 153.33 23.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.422 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 6.0 t-105 -158.2 132.52 8.12 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.413 ' HB2' ' HG ' ' A' ' 122' ' ' LEU . 40.8 t80 -97.87 118.33 34.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.01 77.92 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -17.94 18.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.4 t -57.84 -68.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.75 3.38 65.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 63.82 49.3 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 0.78 . . . . 0.0 109.607 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.31 142.73 50.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.471 ' HB2' ' CG1' ' A' ' 82' ' ' VAL . 32.0 tp -95.91 118.02 31.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.45 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.6 mp -92.89 131.01 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.477 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -143.55 106.79 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -104.4 125.39 50.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.572 HG22 ' CE3' ' A' ' 73' ' ' TRP . 42.8 mm -87.47 88.16 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 10.1 mt -51.45 -99.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 71' ' ' PRO . . . -157.49 162.17 31.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.1 160.42 14.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -153.92 165.93 34.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 46.86 44.65 14.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.417 ' HB3' ' NH2' ' A' ' 42' ' ' ARG . 1.4 mp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.469 ' NH1' ' HG3' ' A' ' 44' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 6.2 m-20 -121.18 93.69 48.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.469 ' HG3' ' NH1' ' A' ' 42' ' ' ARG . 18.1 Cg_endo -75.01 167.37 27.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.584 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 9.7 p90 -178.26 122.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.574 HG22 ' CH2' ' A' ' 73' ' ' TRP . 21.4 t -73.62 161.35 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -150.13 112.19 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.468 HD12 ' CG1' ' A' ' 27' ' ' ILE . 1.8 mt -91.42 153.32 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -154.85 97.72 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -65.45 105.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.951 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.56 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 159.46 29.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.6 p -81.19 172.97 12.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -58.36 154.95 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.0 m -92.59 114.31 26.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -90.98 137.28 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 67' ' ' LYS . 11.1 mmtt -101.4 134.25 44.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 66' ' ' LYS . 4.3 mtpm? 41.77 92.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.7 OUTLIER -177.84 113.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.432 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.507 ' N ' HD13 ' A' ' 69' ' ' LEU . 2.2 mp -79.02 -17.79 54.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -125.94 80.27 67.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.627 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.1 Cg_endo -75.01 142.96 28.46 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -128.32 96.04 4.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.627 ' CH2' ' HG2' ' A' ' 71' ' ' PRO . 3.8 m-90 -89.0 -41.37 12.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.472 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 40.39 35.09 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.513 ' O ' ' CG2' ' A' ' 26' ' ' THR . 1.9 mt-30 -83.21 -174.95 5.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.1 m -132.59 146.68 52.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 59.2 m-85 -149.65 113.06 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.8 mt -98.23 144.24 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.511 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 10.4 m-85 -135.57 112.6 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.471 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.35 160.26 42.75 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.976 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.471 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.5 Cg_endo -74.99 143.38 77.64 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.027 -0.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 24.1 t -136.39 106.15 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -93.97 165.67 12.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.64 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.5 tpt85 -73.81 -16.61 61.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.36 -12.43 27.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.3 mm-40 -86.35 -13.47 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 4.5 m-30 -57.84 -49.2 77.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.426 ' CB ' ' OE1' ' A' ' 118' ' ' GLU . 26.9 ptt180 -74.8 -4.49 38.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -106.58 -17.9 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.7 mpt_? -142.11 131.01 22.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.441 ' HE1' ' N ' ' A' ' 116' ' ' GLU . 0.8 OUTLIER -119.2 155.51 31.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.459 HD12 ' CD2' ' A' ' 23' ' ' LEU . 6.6 mt -92.94 148.54 21.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -134.17 92.11 2.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.457 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 2.3 mp -95.9 140.25 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.492 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -143.72 150.31 38.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.378 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.464 ' CD1' HG21 ' A' ' 46' ' ' VAL . 16.2 tp -114.91 131.57 56.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.584 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -136.01 170.83 15.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 1.2 t0 -127.92 114.99 17.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.466 ' CD1' ' CZ3' ' A' ' 97' ' ' TRP . 52.0 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.524 0.202 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 85.4 mt -75.97 -44.0 41.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.75 176.99 47.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.492 ' CB ' HG22 ' A' ' 95' ' ' THR . 1.0 OUTLIER -132.46 136.0 46.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 0.8 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.9 mt -120.92 103.42 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.86 136.14 37.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.7 mt -137.17 120.55 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.441 ' N ' ' HE1' ' A' ' 91' ' ' MET . 53.1 mt-10 -81.33 112.0 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.605 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 11.4 mt -44.88 -31.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.426 ' OE1' ' CB ' ' A' ' 88' ' ' ARG . 16.0 tt0 -57.68 -53.58 56.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 72.5 p -104.1 27.07 8.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.81 170.35 13.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.457 ' C ' ' CD1' ' A' ' 122' ' ' LEU . 5.8 mt -125.39 113.96 18.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.457 ' CD1' ' C ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -123.99 103.2 8.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -161.59 28.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.422 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 6.5 t0 49.18 41.97 20.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -120.15 126.14 26.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.478 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.95 125.79 9.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.547 1.814 . . . . 0.0 111.05 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -124.83 140.74 52.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.622 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.593 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 98.0 m95 -93.65 110.54 22.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -102.7 111.39 23.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.29 150.61 17.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.681 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -91.16 150.53 21.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 16.2 pt20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -141.95 151.76 42.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.0 tp -131.94 138.61 48.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.471 ' OG ' ' CH2' ' A' ' 128' ' ' TRP . 66.7 m -98.51 115.32 28.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.4 mt -126.81 122.78 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -100.31 114.04 27.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.432 ' HB3' ' CD2' ' A' ' 122' ' ' LEU . 65.2 mt -103.01 147.84 26.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.605 ' CE3' ' CG ' ' A' ' 124' ' ' ASP . 5.4 t-105 -158.72 135.82 9.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 107.982 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.406 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 65.3 t80 -100.87 137.91 38.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.507 ' CG ' HG21 ' A' ' 19' ' ' VAL . 26.0 t70 -112.66 109.09 18.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.4 -27.02 16.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.507 HG21 ' CG ' ' A' ' 17' ' ' ASP . 12.2 m -48.56 -64.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.454 ' H ' ' CG2' ' A' ' 19' ' ' VAL . . . -100.91 0.22 55.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' A' ' 80' ' ' SER . 34.8 m170 67.7 71.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 109.585 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 17' ' ' ASP . 1.0 OUTLIER -144.61 163.51 33.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.8 tp -117.0 117.87 30.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.55 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.3 mp -89.24 127.18 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -130.44 104.26 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -106.0 126.2 51.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.379 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.567 HG21 ' CE3' ' A' ' 73' ' ' TRP . 35.2 mm -98.34 91.76 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 10.9 mt -54.92 -100.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.559 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.07 166.12 35.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.18 174.39 5.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -159.86 171.78 18.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.35 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LYS . 26.0 m-20 40.53 44.8 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.0 ptt85 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -113.82 91.69 22.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HG2' ' HG3' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -75.01 156.36 42.95 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.564 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.7 p90 -168.68 131.97 1.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.531 HG23 ' CH2' ' A' ' 73' ' ' TRP . 17.2 t -86.02 161.51 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CD ' ' CE2' ' A' ' 49' ' ' TYR . 1.3 ttmm -148.67 112.17 5.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.232 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.417 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.6 mt -91.9 149.04 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.503 ' CE2' ' CD ' ' A' ' 47' ' ' LYS . 0.9 OUTLIER -152.81 99.85 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 90' ' ' ARG . 14.9 t80 -65.0 89.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.7 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.569 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 31.8 mmt180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.96 138.66 45.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.7 p -83.12 169.08 16.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.35 145.77 55.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.2 m -81.09 117.09 21.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.48 ' CG1' HG21 ' A' ' 68' ' ' THR . 0.4 OUTLIER -87.06 143.07 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -107.69 136.59 47.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt 40.72 87.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.528 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -178.72 110.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 63.3 mt -77.71 -16.96 58.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.428 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 4.4 mt-10 -124.26 80.25 59.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 73' ' ' TRP . 18.0 Cg_endo -75.0 146.88 33.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -130.41 94.02 3.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.567 ' CE3' HG21 ' A' ' 27' ' ' ILE . 3.0 m-90 -87.89 -42.7 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 1.7 m120 37.62 40.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.402 ' O ' ' OG1' ' A' ' 26' ' ' THR . 2.4 mm100 -87.93 177.88 6.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -132.02 133.45 44.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 23.6 m-85 -135.11 113.02 10.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.1 mt -95.22 128.71 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.54 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.3 OUTLIER -116.13 114.08 23.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.458 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.16 160.13 43.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.458 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.2 Cg_endo -75.03 143.37 77.58 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.028 -2.488 . . . . 0.0 110.954 0.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.54 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 22.4 t -135.7 128.6 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -111.83 169.73 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.542 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.406 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 10.3 tpt180 -79.93 -34.84 38.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -11.02 59.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.456 ' OE1' ' NH1' ' A' ' 90' ' ' ARG . 1.8 mm-40 -85.51 -3.74 58.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 4.2 m-30 -67.43 -36.84 82.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.475 ' N ' ' OE1' ' A' ' 118' ' ' GLU . 1.4 ptt180 -84.54 38.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -149.62 -32.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.251 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.575 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 1.1 mpp_? -129.72 125.89 36.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.474 ' HE3' ' CD1' ' A' ' 114' ' ' LEU . 0.8 OUTLIER -115.87 153.27 31.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.989 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.55 HD21 ' CE2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -93.92 144.8 25.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.479 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 12.5 tt0 -134.08 92.84 3.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.4 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 3.6 mp -88.84 140.33 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.482 HG21 ' CB ' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -143.32 151.02 40.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.396 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.455 ' CD1' HG22 ' A' ' 46' ' ' VAL . 17.8 tp -113.86 137.41 51.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -143.76 165.51 27.46 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -121.03 129.07 53.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.347 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.598 ' CZ ' ' C ' ' A' ' 111' ' ' GLY . 38.7 t80 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.458 0.171 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.6 mt -85.93 -45.88 11.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.598 ' C ' ' CZ ' ' A' ' 109' ' ' PHE . . . -177.34 -169.4 38.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.482 ' CB ' HG21 ' A' ' 95' ' ' THR . 6.4 pt-20 -147.9 143.49 27.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.76 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.42 ' CG2' HD13 ' A' ' 115' ' ' ILE . 23.7 mt -128.88 109.43 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.479 ' CD2' ' HG3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -98.39 129.43 45.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.42 HD13 ' CG2' ' A' ' 113' ' ' ILE . 4.7 mt -137.43 123.94 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 120' ' ' ALA . 2.0 mt-10 -89.6 126.05 35.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.57 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 20.2 mt -54.9 -39.42 68.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 88' ' ' ARG . 3.0 tp10 -57.0 -51.67 68.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.5 p -107.26 31.58 5.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 116' ' ' GLU . . . -77.95 157.07 29.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.8 mt -99.59 90.85 4.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 1.1 mt -105.22 118.34 36.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.454 ' C ' ' N ' ' A' ' 125' ' ' GLU . 3.8 t0 -176.03 36.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.605 ' CG ' ' CE3' ' A' ' 15' ' ' TRP . 11.0 m-20 38.75 31.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.478 ' O ' ' CE1' ' A' ' 127' ' ' HIS . 3.5 mt-10 -114.48 129.81 24.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.475 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 127.52 10.75 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' A' ' 125' ' ' GLU . 20.9 m80 -125.43 141.27 52.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.577 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 93.5 m95 -92.19 105.85 17.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 108.024 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 127' ' ' HIS . 43.0 m-85 -95.2 114.33 26.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -61.36 140.6 57.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.28 143.78 27.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -150.13 118.39 6.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 113' ' ' ILE . 36.5 tp -103.93 141.62 35.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.592 ' OG ' ' CE3' ' A' ' 128' ' ' TRP . 71.6 m -106.53 114.06 27.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.037 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mt -126.53 129.38 71.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -104.96 114.58 28.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.7 mt -102.21 147.16 26.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.429 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 3.8 t-105 -157.85 140.17 14.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 108.016 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.432 ' CD1' ' HZ ' ' A' ' 87' ' ' PHE . 68.9 t80 -104.05 146.29 28.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.543 ' CG ' ' CG2' ' A' ' 19' ' ' VAL . 5.8 t0 -122.1 118.2 28.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 -20.82 20.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.543 ' CG2' ' CG ' ' A' ' 17' ' ' ASP . 6.0 m -45.97 -68.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.484 ' H ' ' CG2' ' A' ' 19' ' ' VAL . . . -109.75 5.84 31.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.424 ' HA ' ' O ' ' A' ' 17' ' ' ASP . 29.8 m80 67.11 68.56 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.536 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -130.06 160.24 34.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 tp -111.98 114.56 27.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.482 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.5 mp -84.32 132.88 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 t -138.04 103.24 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.34 118.24 36.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.436 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.53 HG21 ' CE3' ' A' ' 73' ' ' TRP . 35.1 mm -89.1 97.43 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 12.7 mt -61.12 -100.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.578 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -163.15 160.08 32.63 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.84 175.44 6.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.599 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -159.96 162.78 34.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 52.13 50.9 17.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.4 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' NH1' ' OD2' ' A' ' 98' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -115.21 89.01 19.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 169.09 23.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -179.18 127.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.696 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 6.6 t -87.74 159.15 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HD3' ' CE2' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -148.64 108.16 3.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.475 HD11 ' CG1' ' A' ' 27' ' ' ILE . 2.7 mt -92.36 153.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.496 ' CE2' ' HD3' ' A' ' 47' ' ' LYS . 1.1 m-85 -154.91 98.11 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -61.58 96.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.539 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 41.5 mmt180 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -133.39 149.21 51.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.9 p -98.33 173.43 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 142.86 54.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.3 m -80.31 113.12 18.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.453 ' CG1' HG22 ' A' ' 68' ' ' THR . 1.5 t -79.14 146.91 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -120.37 130.67 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 mttp 49.8 88.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.481 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.7 OUTLIER -176.96 114.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.5 mt -74.32 -20.05 60.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -130.25 89.82 43.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.95 41.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -140.62 103.08 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.696 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 4.1 m-90 -95.61 -45.79 6.9 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER 40.66 37.43 0.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -87.54 177.61 7.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 m -128.57 140.17 51.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.539 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 30.7 m-85 -143.27 114.76 8.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.5 mt -96.37 145.86 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.5 OUTLIER -135.45 111.0 9.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -147.81 160.27 38.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.985 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.461 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -75.02 143.97 79.45 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.984 0.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.536 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 4.3 t -129.23 128.58 66.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.579 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 21.7 m170 -105.14 170.28 7.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.599 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' HD2' ' CE2' ' A' ' 87' ' ' PHE . 1.0 OUTLIER -85.76 -33.48 21.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -1.19 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.295 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -91.44 -35.35 14.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 83' ' ' HIS . 13.7 m-30 -36.18 -31.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -65.24 -77.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -61.59 -21.41 64.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 87' ' ' PHE . 7.9 mpt_? -106.63 108.03 19.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.482 ' CE ' HD13 ' A' ' 114' ' ' LEU . 4.2 ttt -122.92 150.75 42.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.9 mt -92.49 147.52 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.459 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 7.2 tt0 -137.14 98.28 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.4 142.47 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.517 ' HB ' ' CE2' ' A' ' 97' ' ' TRP . 0.7 OUTLIER -144.65 141.59 29.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 17.4 tp -110.43 137.97 47.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.571 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -144.39 165.9 26.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 108.042 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.444 ' OD2' ' NH1' ' A' ' 42' ' ' ARG . 1.6 t0 -125.67 112.29 15.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 21.3 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.5 0.19 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.8 mt -57.39 -39.44 76.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.554 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 167.42 -179.02 41.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.476 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.1 pt-20 -131.69 135.24 46.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 0.798 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.442 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 7.8 mt -120.35 105.64 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.482 HD13 ' CE ' ' A' ' 91' ' ' MET . 0.2 OUTLIER -97.97 133.88 41.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.8 mt -136.91 120.72 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.439 ' HG2' ' CE ' ' A' ' 91' ' ' MET . 4.2 mt-10 -87.16 121.15 29.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.487 ' HB2' ' CA ' ' A' ' 87' ' ' PHE . 10.8 mt -45.3 -53.79 7.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.451 ' N ' ' HB3' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -45.82 -28.39 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' GLU . 1.5 p -122.61 28.69 7.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.448 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -92.91 107.01 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.567 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 3.9 pp -64.14 99.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -99.66 124.95 45.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 125' ' ' GLU . 1.6 t0 176.12 39.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.429 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 29.5 t70 38.72 32.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 123' ' ' ASP . 5.0 mt-10 -107.6 121.27 44.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.474 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.97 122.95 7.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.457 1.767 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.84 139.7 53.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.573 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.599 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 84.6 m95 -87.52 122.5 31.32 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -113.25 115.44 28.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 11.2 mtmt -63.81 154.43 33.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.663 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -93.93 157.01 16.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.279 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -145.79 119.75 9.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 0.774 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.476 HD23 ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -104.23 132.24 50.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.582 ' HB2' ' CZ3' ' A' ' 128' ' ' TRP . 6.5 t -95.6 127.2 41.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 15.9 mt -141.6 167.04 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.474 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.4 OUTLIER -133.89 132.59 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.5 mt -128.04 149.99 50.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -157.42 155.22 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -120.08 122.71 41.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -101.86 93.03 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -20.85 65.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.5 t -51.54 -71.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.84 2.9 62.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 65.74 53.21 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 109.586 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.38 143.84 48.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.418 ' CD2' HD11 ' A' ' 117' ' ' LEU . 10.7 tp -97.33 115.12 27.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.491 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.4 mp -88.84 135.48 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -150.93 126.72 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.489 HG22 ' CD1' ' A' ' 28' ' ' LEU . 1.2 m -123.23 125.11 44.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.552 ' O ' ' N ' ' A' ' 74' ' ' ASN . 41.4 mm -85.79 86.31 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -49.94 -99.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.62 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -164.32 159.59 32.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.57 169.84 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.59 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -157.39 167.27 30.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 50.59 49.06 21.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.1 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -116.55 82.21 12.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 165.18 31.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.2 p90 -171.81 136.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.707 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 5.2 t -89.2 160.24 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -143.82 106.99 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.42 ' CD1' HG13 ' A' ' 27' ' ' ILE . 1.7 mt -91.67 150.58 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -154.59 102.64 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -74.28 92.19 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.055 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.565 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -139.12 146.65 40.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.6 p -83.33 172.45 12.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.59 144.03 55.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.7 m -80.2 116.23 20.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.424 ' CG1' HG23 ' A' ' 68' ' ' THR . 1.4 t -79.39 148.09 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' LYS . 12.3 mmtt -113.15 123.31 49.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 66' ' ' LYS . 32.7 mtpt 48.14 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.476 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -177.97 114.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.7 mt -73.84 -20.82 60.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -129.28 90.87 43.47 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.505 ' HB2' ' CZ2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -75.0 152.9 41.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -140.36 103.12 4.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.707 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 2.3 m-90 -101.58 -47.7 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 108.021 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER 38.91 38.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -80.03 177.07 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.515 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 20.8 m -117.23 140.75 49.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 110.368 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 30.0 m-85 -148.43 114.5 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.1 mt -104.05 145.12 13.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 7.2 m-85 -135.08 110.93 9.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.66 160.43 41.28 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.466 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.0 142.49 74.91 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.97 0.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.536 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 11.2 t -132.68 117.5 30.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -105.41 157.33 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.61 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -67.84 -29.17 68.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -6.18 55.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.3 mm-40 -99.8 -12.45 19.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 3.7 m-30 -55.71 -53.93 50.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -64.02 -11.46 29.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -110.42 -1.63 16.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -144.88 122.06 11.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.46 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -126.44 148.96 49.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.445 ' CD2' HD23 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -93.75 143.66 26.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.469 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 21.8 tt0 -131.03 97.68 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.518 ' CG2' ' CG1' ' A' ' 46' ' ' VAL . 2.9 mp -97.21 131.01 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.67 148.96 51.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.2 tp -115.46 138.87 50.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.579 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 2.7 m95 -140.76 176.3 8.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 2.1 t0 -130.72 99.07 4.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.61 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 39.4 t80 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.496 0.188 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 90.3 mt -80.16 -27.4 39.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.61 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 153.88 170.35 19.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 2.4 pt-20 -132.43 136.42 46.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.438 HD13 ' CB ' ' A' ' 10' ' ' LEU . 23.7 mt -117.5 121.98 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -107.24 135.74 48.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.437 HD13 ' CD1' ' A' ' 94' ' ' ILE . 7.8 mt -135.05 118.07 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 120' ' ' ALA . 39.2 mt-10 -88.49 113.6 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.52 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 17.5 mt -50.85 -29.13 11.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -53.69 -52.4 60.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.6 p -117.15 26.13 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -66.52 149.81 49.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.9 90.75 8.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.0 mt -106.43 106.96 17.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -171.71 34.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.8 t0 48.8 25.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -115.0 108.55 48.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.49 ' CB ' HD21 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.95 130.98 13.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -125.75 144.19 50.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.617 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.59 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 86.2 m95 -78.69 125.0 28.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.055 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -112.04 129.94 56.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 2.7 mtmt -66.09 157.3 31.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.639 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -95.93 165.98 12.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -139.07 135.08 33.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -115.84 136.56 52.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.568 ' HB2' ' CH2' ' A' ' 128' ' ' TRP . 2.4 t -102.36 120.44 40.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mt -132.7 131.72 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' CE ' HD21 ' A' ' 28' ' ' LEU . 2.4 ttmt -106.05 114.8 29.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.4 mt -105.35 145.27 30.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.411 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.6 t-105 -154.22 132.84 12.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.027 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.427 ' N ' ' HB3' ' A' ' 122' ' ' LEU . 65.7 t80 -91.38 148.7 22.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.518 ' OD2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -122.56 112.32 17.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.92 -24.2 16.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.163 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.518 ' CG2' ' OD2' ' A' ' 17' ' ' ASP . 13.3 m -50.24 -63.48 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.446 ' H ' ' CG2' ' A' ' 19' ' ' VAL . . . -104.25 1.54 43.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.485 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 89.1 m-70 68.03 62.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 0.788 . . . . 0.0 109.57 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -129.77 174.55 9.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 79' ' ' TYR . 59.7 tp -127.57 115.17 18.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.569 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.3 mp -86.14 133.3 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' PHE . 40.8 t -136.08 96.88 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.9 125.11 40.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.465 ' CG1' HD13 ' A' ' 48' ' ' ILE . 49.9 mm -96.93 91.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 15.4 mt -53.99 -100.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.582 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.35 170.26 35.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.47 164.2 12.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -157.44 151.65 24.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t0 73.73 42.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -116.18 90.42 28.88 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 162.05 37.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.9 p90 -173.38 131.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.693 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 19.7 t -86.32 162.15 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -149.18 110.36 4.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.465 HD13 ' CG1' ' A' ' 27' ' ' ILE . 3.3 mt -92.04 149.89 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -153.93 98.75 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CE1' HD12 ' A' ' 117' ' ' LEU . 0.8 OUTLIER -75.18 108.62 8.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.3 mmt-85 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.45 139.77 53.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.8 p -82.58 168.62 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.399 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 145.07 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.1 m -80.63 115.19 20.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -85.06 147.21 5.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -119.69 138.76 53.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt 44.59 85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.508 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -178.15 112.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.421 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.421 ' N ' HD13 ' A' ' 69' ' ' LEU . 4.5 mp -75.45 -19.61 59.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -128.12 87.39 55.6 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.4 Cg_endo -74.99 152.33 40.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -137.73 97.21 3.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.693 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 4.6 m-90 -89.56 -43.35 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 107.996 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER 38.81 40.61 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.02 -176.77 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 m -137.17 130.16 30.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' VAL . 27.2 m-85 -131.39 113.6 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 12.3 mt -94.87 137.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.516 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.6 m-85 -127.2 113.87 16.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -145.59 161.28 41.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.492 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -75.0 144.64 81.59 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.958 0.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 24.8 t -137.37 121.53 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -110.29 160.76 16.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.615 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -77.05 -13.07 60.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.26 -5.88 42.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -97.33 -16.24 20.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.54 ' CD1' ' HB3' ' A' ' 117' ' ' LEU . 3.3 m-30 -50.56 -56.25 12.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -57.12 -16.23 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -114.6 25.24 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.454 ' HB3' ' CD1' ' A' ' 117' ' ' LEU . 3.2 mtt180 -160.07 145.85 15.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.492 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 1.1 ttt -145.8 141.27 27.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.433 HD11 ' CD2' ' A' ' 23' ' ' LEU . 5.7 mt -93.31 151.42 19.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.407 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 18.9 tt0 -138.27 115.01 10.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.555 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 1.9 mp -114.41 145.92 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.504 HG22 ' CB ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -145.56 143.49 29.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.403 ' CD1' HG21 ' A' ' 46' ' ' VAL . 17.7 tp -112.62 133.14 54.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -140.21 173.75 11.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 107.982 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.38 112.65 13.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 111' ' ' GLY . 55.1 t80 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.513 0.197 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.3 mt -77.3 -34.44 55.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.473 ' O ' ' CE1' ' A' ' 109' ' ' PHE . . . 169.57 -173.25 43.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.504 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.2 pt-20 -143.01 140.82 31.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 110.306 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 26.3 mt -125.72 116.09 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.492 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -107.55 134.3 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.7 mt -135.75 124.71 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 120' ' ' ALA . 20.3 mt-10 -89.7 125.67 35.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.577 HD12 ' CE1' ' A' ' 50' ' ' PHE . 10.5 mt -54.65 -36.76 64.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -52.92 -51.54 60.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.1 p -107.14 26.15 10.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.43 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -71.04 165.43 23.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.484 ' C ' ' CD1' ' A' ' 122' ' ' LEU . 10.7 mt -124.39 112.39 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -125.05 87.84 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.44 32.26 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 48.29 35.63 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.087 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -116.44 123.1 31.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.465 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.96 124.28 8.53 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -123.45 134.75 53.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 11' ' ' SER . 90.3 m95 -88.34 106.47 18.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 107.983 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -90.86 142.1 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -76.26 145.58 39.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.7 140.71 29.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -128.45 137.87 52.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -119.23 140.39 50.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.48 ' HB2' ' CZ3' ' A' ' 128' ' ' TRP . 3.3 t -108.99 122.28 46.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mt -132.28 132.94 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.422 ' CE ' HD22 ' A' ' 28' ' ' LEU . 4.8 ttmt -106.76 125.85 51.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 11.4 mt -119.34 149.26 42.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.474 ' CA ' ' HB3' ' A' ' 122' ' ' LEU . 4.3 t-105 -155.84 130.15 8.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.414 ' N ' ' HB3' ' A' ' 122' ' ' LEU . 44.0 t80 -95.91 119.76 34.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' HIS . 1.0 OUTLIER -95.91 81.14 3.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -18.77 59.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.6 -71.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.41 1.67 82.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.455 ' CE1' ' CE1' ' A' ' 83' ' ' HIS . 30.2 m80 62.42 54.28 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.97 150.43 50.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD2' HD13 ' A' ' 92' ' ' LEU . 17.8 tp -101.35 117.98 36.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.492 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.5 mp -93.92 123.71 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.42 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -135.69 105.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.58 115.66 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.492 HG23 ' CE3' ' A' ' 73' ' ' TRP . 46.1 mm -78.6 96.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 16.7 mt -59.28 -100.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.502 ' HA2' ' CE3' ' A' ' 73' ' ' TRP . . . -162.61 159.32 31.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.424 1.077 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.91 163.05 13.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.561 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.13 168.58 26.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 48.21 40.04 13.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.3 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.498 ' O ' ' HA ' ' A' ' 67' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.701 ' N ' HD21 ' A' ' 43' ' ' ASN . 0.8 OUTLIER -113.41 83.48 6.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.495 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 18.4 Cg_endo -75.01 166.58 28.89 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 34.7 p90 -170.17 122.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.665 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 7.3 t -77.28 158.16 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 111.31 6.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.465 HD12 ' CG1' ' A' ' 27' ' ' ILE . 3.5 mt -91.53 146.63 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -154.73 98.64 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.586 ' CZ ' HD13 ' A' ' 117' ' ' LEU . 7.7 t80 -66.36 104.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 93' ' ' GLU . 60.7 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.528 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 14.2 mmt180 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.91 137.75 54.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.264 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 80.5 p -81.44 168.47 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.43 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.72 144.97 56.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.0 m -80.97 115.24 20.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.473 ' CG1' HG22 ' A' ' 68' ' ' THR . 2.0 t -70.42 174.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.567 ' O ' ' C ' ' A' ' 67' ' ' LYS . 13.7 mmtt -126.73 128.29 46.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.567 ' C ' ' O ' ' A' ' 66' ' ' LYS . 20.0 pttt 26.9 84.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.473 HG22 ' CG1' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -160.85 126.65 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.3 mt -81.82 -23.51 36.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -120.22 84.1 33.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 73' ' ' TRP . 18.2 Cg_endo -74.99 132.8 15.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -117.43 102.55 9.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.665 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 5.0 m-90 -97.4 -46.09 6.21 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 40.11 38.04 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.57 -177.97 6.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.5 m -131.28 146.26 52.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.528 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 55.3 m-85 -148.14 113.43 5.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.1 mt -98.11 133.25 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.523 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.5 m-85 -125.8 111.92 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.49 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -145.92 161.08 41.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.49 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -74.97 142.43 74.74 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.029 -0.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 15.7 t -134.38 104.72 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.455 ' CE1' ' CE1' ' A' ' 21' ' ' HIS . 17.7 m-70 -99.27 150.66 21.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.627 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -61.97 -13.04 21.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.97 -1.95 48.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -96.55 -30.48 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.337 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 7.4 m-30 -39.2 -33.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 89' ' ' GLU . 25.4 ttp85 -67.34 127.71 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 88' ' ' ARG . 37.2 mt-10 82.95 -45.47 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -83.98 107.4 16.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -119.66 161.1 21.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.466 ' CD1' HD23 ' A' ' 117' ' ' LEU . 2.5 mt -93.47 148.04 22.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -134.03 100.19 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.439 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 1.9 mp -108.63 134.7 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.524 ' HB ' ' CE2' ' A' ' 97' ' ' TRP . 0.9 OUTLIER -138.65 145.28 40.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.484 ' CD1' HG22 ' A' ' 46' ' ' VAL . 27.3 tp -111.3 131.35 55.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.524 ' CE2' ' HB ' ' A' ' 95' ' ' THR . 0.1 OUTLIER -139.53 167.75 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.016 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -118.55 114.82 23.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.426 ' NE2' ' HB2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 35.0 t80 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.515 0.198 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.0 mt -82.51 -38.2 24.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.502 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 173.32 173.79 39.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.47 ' CB ' HG23 ' A' ' 95' ' ' THR . 2.9 pt-20 -131.54 133.66 45.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.409 HD12 ' CB ' ' A' ' 10' ' ' LEU . 12.9 mt -122.67 109.75 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.426 ' CD1' ' CE ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -105.39 138.65 41.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.259 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.5 mp -136.72 126.77 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 120' ' ' ALA . 37.1 mt-10 -87.25 118.74 26.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.586 HD13 ' CZ ' ' A' ' 50' ' ' PHE . 14.8 mt -55.46 -33.0 63.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -55.62 -48.36 75.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.8 p -111.26 24.37 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -71.84 166.99 20.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.423 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 2.3 pp -124.27 115.09 20.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -125.19 101.54 7.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -157.39 27.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.403 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 48.7 t0 55.07 44.08 28.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -120.87 121.88 28.68 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.471 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.02 124.09 8.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -123.55 144.81 49.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.565 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.561 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 93.8 m95 -99.03 104.96 17.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.019 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -92.11 121.87 34.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -61.23 142.49 56.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.17 137.91 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.246 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -139.95 143.81 36.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 113' ' ' ILE . 46.0 tp -129.56 141.28 51.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.595 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 75.4 m -105.56 109.81 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.04 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 mt -119.22 122.88 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.3 ttmt -103.09 114.47 28.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.467 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 19.6 mt -105.04 154.77 19.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.445 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 17.4 t-105 -158.39 156.81 31.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.011 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -123.68 122.95 39.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -100.88 80.0 2.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -17.06 16.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.4 t -57.89 -62.88 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.86 6.07 47.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.4 m80 60.49 57.93 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.566 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.62 133.53 47.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tp -85.15 122.36 29.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 15' ' ' TRP . 1.6 mp -96.74 133.52 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.467 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -145.69 107.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.48 130.98 52.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.448 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.593 ' CG2' ' CE3' ' A' ' 73' ' ' TRP . 50.4 mm -93.84 92.25 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.474 ' HA ' ' HA ' ' A' ' 74' ' ' ASN . 9.6 mt -56.44 -100.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.555 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -161.19 158.73 30.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.39 173.1 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -163.96 166.41 21.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 54.37 38.07 28.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.8 mt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.07 95.37 46.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 147.18 33.48 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.481 1.78 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -162.57 134.68 5.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.555 HG21 ' CZ2' ' A' ' 73' ' ' TRP . 12.7 t -97.22 150.27 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -134.77 108.46 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.486 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.2 mt -90.9 150.84 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -155.01 98.44 2.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CE2' HD23 ' A' ' 92' ' ' LEU . 40.1 t80 -74.66 117.36 16.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.499 ' HD2' ' CE1' ' A' ' 77' ' ' PHE . 9.4 mmt180 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' HG2' ' N ' ' A' ' 62' ' ' THR . 5.5 tmm_? -125.6 138.55 53.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.431 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 72.4 p -81.49 162.6 23.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -57.99 144.65 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.3 m -80.73 118.27 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.381 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.6 134.71 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 67' ' ' LYS . 4.8 mttp -103.95 145.14 30.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 39.31 90.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 179.96 120.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.1 mt -85.98 -16.61 37.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.52 88.76 28.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -179.08 4.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HA ' ' HA3' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -172.73 84.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.593 ' CE3' ' CG2' ' A' ' 27' ' ' ILE . 1.1 m-90 -77.28 -29.75 53.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER 35.22 36.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' TRP . 3.6 mm-40 -83.86 177.14 8.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 m -128.93 140.66 51.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.499 ' CE1' ' HD2' ' A' ' 60' ' ' ARG . 27.4 m-85 -140.63 113.41 8.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.8 mt -96.94 144.94 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.485 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 12.3 m-85 -135.83 111.37 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.486 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.38 161.27 39.38 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.01 141.03 70.55 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.045 -0.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 24.3 t -135.87 114.1 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -97.16 161.97 13.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.618 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -71.75 -40.79 69.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -6.49 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.24 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' OE1' ' NE ' ' A' ' 90' ' ' ARG . 1.8 mm-40 -92.52 -16.0 26.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -56.31 -33.59 65.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -89.83 4.98 48.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -105.07 -26.22 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 90' ' ' ARG . 0.5 OUTLIER -138.41 174.76 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -151.69 155.6 38.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.564 HD23 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -92.29 154.3 18.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.53 ' HG3' ' CD1' ' A' ' 114' ' ' LEU . 19.4 tt0 -141.24 96.09 2.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 95' ' ' THR . 4.5 mp -90.73 150.15 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.528 ' HB ' ' CZ2' ' A' ' 97' ' ' TRP . 1.0 OUTLIER -140.94 144.19 35.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.421 ' C ' ' CD1' ' A' ' 97' ' ' TRP . 52.4 tp -131.26 137.3 48.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 0.0 OUTLIER -152.6 179.47 8.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 108.023 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -120.88 117.15 26.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.462 ' CD1' ' CZ3' ' A' ' 97' ' ' TRP . 35.4 t80 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.539 0.209 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.1 mt -55.12 -25.53 32.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 138.41 155.19 6.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.473 ' HB2' ' CG2' ' A' ' 95' ' ' THR . 1.0 OUTLIER -108.49 145.53 34.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.335 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 92.5 mt -115.99 101.45 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.53 ' CD1' ' HG3' ' A' ' 93' ' ' GLU . 1.1 mp -92.81 147.07 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 114' ' ' LEU . 2.0 mp -142.47 134.86 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -95.93 106.13 18.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.43 ' HA ' ' CB ' ' A' ' 120' ' ' ALA . 12.5 mt -41.42 -32.32 0.31 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -58.35 -54.04 51.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 33.6 p -102.02 22.51 12.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.451 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.43 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -75.36 132.44 40.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.57 88.04 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.413 HD21 ' N ' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -89.33 121.69 31.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' ASP . 3.0 t0 -173.0 34.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' ASP . 25.5 t70 39.33 35.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.485 ' O ' ' CD2' ' A' ' 127' ' ' HIS . 6.8 mt-10 -109.96 128.89 24.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.47 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.04 122.89 7.47 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 73.8 m-70 -125.74 134.98 51.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.619 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.595 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 97.3 m95 -85.94 105.16 16.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 108.011 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 127' ' ' HIS . 33.2 m-85 -95.55 128.31 42.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.01 139.04 42.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.419 ' CD2' HG13 ' A' ' 113' ' ' ILE . 1.1 mt -85.41 156.32 20.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -137.76 132.41 32.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.423 ' CD1' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -117.52 137.99 52.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.416 ' N ' HD23 ' A' ' 10' ' ' LEU . 16.1 m -103.79 115.17 29.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 mt -125.45 128.78 72.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.415 ' CE ' HD23 ' A' ' 28' ' ' LEU . 3.3 ttmt -108.15 123.5 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.451 ' CD2' HG13 ' A' ' 25' ' ' VAL . 13.4 mt -115.18 153.65 30.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -158.14 145.32 17.99 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -106.42 133.15 51.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 21' ' ' HIS . 2.4 m-20 -113.36 84.08 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -18.85 42.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.8 t -52.84 -64.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.2 5.44 33.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' ASP . 15.5 m170 61.9 61.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.657 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.48 150.23 50.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.428 HD23 ' CD2' ' A' ' 117' ' ' LEU . 9.9 tp -99.09 116.89 32.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.414 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.7 mp -89.51 101.6 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.451 HG13 ' CD2' ' A' ' 14' ' ' LEU . 28.9 t -107.35 112.3 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -110.99 119.21 38.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.58 HG21 ' CE3' ' A' ' 73' ' ' TRP . 49.2 mm -88.6 91.58 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.48 ' HA ' ' HA ' ' A' ' 74' ' ' ASN . 16.9 mt -54.68 -98.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.557 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -157.88 171.19 34.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.36 155.14 25.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.566 ' CG ' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -144.05 165.46 27.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.417 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 72.0 m-20 55.26 54.59 8.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.429 ' NH1' HD22 ' A' ' 110' ' ' LEU . 1.1 ptp180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -115.55 88.66 20.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.86 43.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.567 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 2.0 p90 -170.53 124.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.613 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 44.5 t -78.04 163.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -149.23 116.66 6.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.459 HD13 ' CG1' ' A' ' 27' ' ' ILE . 3.4 mt -91.23 147.93 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -150.44 107.44 3.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.413 ' CZ ' HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -83.17 127.56 33.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.415 HD23 ' CB ' ' A' ' 93' ' ' GLU . 1.2 mm? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.529 ' HD2' ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 160.37 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.439 ' HB ' ' CD1' ' A' ' 73' ' ' TRP . 75.6 p -80.64 169.57 17.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.53 148.39 33.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.9 m -80.72 111.19 16.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.455 ' CG1' HG22 ' A' ' 68' ' ' THR . 1.0 OUTLIER -80.31 145.69 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -112.58 132.59 55.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm 43.47 91.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.513 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -178.36 112.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.424 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.6 -19.28 59.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -126.96 86.06 59.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.479 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.99 145.43 31.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -131.55 96.35 3.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.613 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 4.0 m-90 -89.69 -43.88 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 107.981 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 41.31 35.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.409 ' O ' ' OG1' ' A' ' 26' ' ' THR . 2.5 mm100 -86.4 -175.03 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -136.43 143.56 43.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.436 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.529 ' CE1' ' HD2' ' A' ' 60' ' ' ARG . 29.0 m-85 -138.87 113.34 8.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.4 mt -94.83 129.48 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.513 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 40.2 m-85 -124.48 111.79 16.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.515 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -145.39 162.53 36.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.515 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.04 141.8 72.82 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.977 0.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 17.3 t -134.5 108.0 10.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -96.81 166.82 11.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.577 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.462 ' HD2' ' CE2' ' A' ' 87' ' ' PHE . 1.5 tpt180 -79.62 -21.37 44.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.47 -8.61 59.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -93.59 -28.03 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 7.0 m-30 -40.44 -54.71 2.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.6 ttt85 -45.47 -53.63 8.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.44 44.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.426 ' O ' HD12 ' A' ' 117' ' ' LEU . 11.4 mtt180 -158.48 142.79 15.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.596 ' HA ' ' CD1' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -152.9 136.78 16.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.8 mt -92.35 137.53 32.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.48 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 9.5 tt0 -121.2 100.24 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.439 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 1.8 mp -99.66 137.57 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.495 ' HB ' ' CE2' ' A' ' 97' ' ' TRP . 1.0 OUTLIER -138.58 145.96 41.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.364 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' A' ' 46' ' ' VAL . 21.3 tp -115.76 131.18 57.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.556 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 0.0 OUTLIER -140.58 175.06 9.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 108.045 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.83 97.19 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.493 ' HB2' ' CE3' ' A' ' 97' ' ' TRP . 73.8 t80 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.531 0.205 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.429 HD22 ' NH1' ' A' ' 42' ' ' ARG . 34.3 mt -92.24 -31.4 15.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 170.22 179.54 41.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.486 ' CB ' HG21 ' A' ' 95' ' ' THR . 4.0 pt-20 -139.56 144.18 37.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.288 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.3 mt -126.66 106.51 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.507 HD13 ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -94.12 132.66 38.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.4 mt -138.36 149.67 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 120' ' ' ALA . 8.2 mt-10 -114.86 141.36 48.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.596 ' CD1' ' HA ' ' A' ' 91' ' ' MET . 1.5 mp -80.28 -12.52 59.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -68.03 -31.98 72.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 82.4 p -125.81 -1.34 7.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.501 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -43.01 135.09 3.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.04 87.05 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 4.3 mt -88.69 114.41 25.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -169.92 35.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.2 t0 40.91 35.77 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 127' ' ' HIS . 39.2 mt-10 -106.64 120.37 48.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.477 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.93 123.14 7.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 125' ' ' GLU . 53.9 m-70 -125.81 141.76 51.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.608 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.566 ' CZ3' ' CG ' ' A' ' 31' ' ' LYS . 80.6 m95 -86.95 105.35 17.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 107.996 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -90.43 125.21 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -72.06 144.31 48.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.1 mt -99.66 142.31 31.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.44 92.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.4 p -152.99 155.64 37.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.016 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.95 135.9 3.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -132.36 113.41 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 t -145.51 152.87 40.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.024 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.41 146.92 18.32 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.546 1.154 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.31 -122.74 4.76 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -141.99 146.4 35.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.5 tp -130.0 140.48 50.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.453 ' HB2' ' CH2' ' A' ' 128' ' ' TRP . 2.0 t -103.46 119.09 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mt -128.05 128.36 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 26' ' ' THR . 8.0 ttmt -100.89 114.21 27.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 74.8 mt -106.31 151.37 24.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.516 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 41.9 t-105 -158.61 153.65 25.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 107.985 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.449 ' CD1' ' CZ ' ' A' ' 87' ' ' PHE . 31.9 t80 -125.18 110.82 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.76 86.36 7.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -20.25 65.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 88.8 t -55.14 -72.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.79 4.05 81.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 31.4 m170 62.67 59.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.595 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.62 142.48 50.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 92' ' ' LEU . 4.7 tp -94.21 121.29 35.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.458 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.5 mp -98.6 143.02 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.458 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -158.45 101.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -96.39 125.75 41.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.402 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.603 ' CG2' ' CE3' ' A' ' 73' ' ' TRP . 47.1 mm -88.36 91.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.49 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 13.6 mt -55.41 -99.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.59 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.88 166.88 35.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.91 164.77 11.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.563 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.32 167.65 29.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 51.22 44.56 28.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 mt -83.83 153.66 64.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 110.74 3.18 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.534 1.807 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.486 ' CB ' HD12 ' A' ' 69' ' ' LEU . 7.8 t -108.31 -168.32 1.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.971 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -102.97 -176.77 3.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 32.0 mt-10 -96.9 -88.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -106.96 56.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -136.09 -120.28 1.97 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -141.24 162.17 49.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.569 1.826 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' NH1' ' CD2' ' A' ' 110' ' ' LEU . 4.8 ptp180 -138.91 -178.92 5.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -114.34 92.17 26.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 149.84 37.54 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.2 p90 -162.55 133.43 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.694 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 3.5 t -88.15 162.56 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' HD3' ' CE2' ' A' ' 49' ' ' TYR . 6.1 ttmt -149.62 108.06 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.496 HD12 ' CG1' ' A' ' 27' ' ' ILE . 3.3 mt -91.44 152.6 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 0.4 OUTLIER -153.54 98.18 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -70.78 98.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.499 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -70.12 156.35 91.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 -169.44 7.35 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.019 -0.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.1 t70 78.98 128.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.45 84.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.69 -51.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.976 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -179.67 -160.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.79 -82.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.162 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.8 p30 -94.7 36.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 7.7 ttpt -111.1 128.64 55.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 27.8 mmt180 -119.38 134.29 55.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -135.84 152.47 51.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.5 p -99.26 164.8 11.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 110.398 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -61.95 143.38 56.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 m -80.35 112.62 17.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.471 ' CG1' HG23 ' A' ' 68' ' ' THR . 1.3 t -79.23 142.8 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -109.31 135.86 49.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.1 mttt 41.05 89.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.524 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -178.08 111.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.427 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.486 HD12 ' CB ' ' A' ' 35' ' ' SER . 32.0 mt -76.25 -17.49 59.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.404 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 6.3 mt-10 -128.45 85.94 59.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 159.98 40.79 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.808 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -145.56 93.08 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.694 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 2.9 m-90 -87.87 -42.69 12.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 107.987 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.442 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER 38.47 36.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.402 ' O ' ' CG2' ' A' ' 26' ' ' THR . 2.9 mm-40 -83.02 -174.87 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.549 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 16.0 m -132.43 143.72 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.57 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 23.9 m-85 -143.93 117.15 8.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.9 mt -107.61 131.06 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.52 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 8.8 m-85 -122.14 112.26 17.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.27 160.69 41.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.1 Cg_endo -75.02 141.25 71.18 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.975 0.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 16.0 t -134.1 120.81 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.46 ' CD2' ' N ' ' A' ' 83' ' ' HIS . 2.5 m170 -102.0 160.89 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.625 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 49.4 tpt85 -68.85 -35.33 76.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -20.36 59.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.092 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.4 mm-40 -71.65 -33.47 68.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.522 ' CG ' ' HB3' ' A' ' 117' ' ' LEU . 6.2 m-30 -43.05 -34.78 1.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -62.74 -43.82 97.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 86' ' ' GLU . 33.1 mt-10 -98.56 6.92 46.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -129.84 117.69 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.441 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 2.8 ttt -129.07 145.99 51.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.461 HD11 ' CD2' ' A' ' 23' ' ' LEU . 8.9 mt -92.8 151.95 19.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.421 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 14.6 tt0 -140.34 98.91 3.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.47 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 1.6 mp -100.76 144.85 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.514 ' HB ' ' CE2' ' A' ' 97' ' ' TRP . 0.7 OUTLIER -146.19 136.66 23.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.8 tp -104.87 129.79 53.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.582 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -134.8 -178.22 4.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.045 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 3.1 t0 -132.52 125.85 31.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.8 78.01 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.34 -82.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -57.48 177.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.0 p -121.84 148.35 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 45.58 47.63 11.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.48 -175.72 5.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -120.36 34.36 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.6 78.08 8.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.86 147.98 22.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.961 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 109' ' ' PHE . 8.5 pt-20 -101.68 -7.81 22.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 111' ' ' GLY . 48.5 t80 55.54 111.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.413 ' CD2' ' NH1' ' A' ' 42' ' ' ARG . 68.8 mt -88.69 -27.42 21.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.434 ' O ' ' CE1' ' A' ' 109' ' ' PHE . . . 166.65 -178.89 40.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.488 ' CB ' HG23 ' A' ' 95' ' ' THR . 1.7 pt-20 -138.38 137.89 37.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 25.3 mt -123.77 110.96 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.441 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -104.22 132.51 50.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.2 mt -136.39 124.63 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 120' ' ' ALA . 18.1 mt-10 -92.19 115.29 27.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.522 ' HB3' ' CG ' ' A' ' 87' ' ' PHE . 26.3 mt -49.5 -30.35 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -56.43 -51.84 66.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.0 p -111.25 25.87 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 110.413 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -76.99 116.37 17.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -70.95 90.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.41 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 1.4 mt -96.64 116.97 30.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.98 23.73 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.516 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 27.2 t70 47.97 45.8 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.71 150.59 76.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.96 124.5 8.69 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.564 1.823 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 129' ' ' TYR . 0.1 OUTLIER -126.0 135.15 51.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.596 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 96.7 m95 -95.69 113.76 25.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 127' ' ' HIS . 75.2 m-85 -105.34 111.82 24.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.94 147.98 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.06 142.1 27.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -111.59 128.71 56.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 54.7 p -120.95 82.09 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.42 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -156.93 101.08 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.631 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -49.41 152.36 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.4 m 66.69 110.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -128.8 169.01 20.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.49 29.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.42 127.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.58 158.98 11.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -121.04 91.71 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.43 93.95 0.22 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.99 166.31 0.48 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.53 132.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 p -147.11 162.14 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.84 161.01 26.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.9 -118.33 2.77 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -137.32 147.72 45.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.415 HD13 ' CZ3' ' A' ' 73' ' ' TRP . 23.6 tp -128.53 142.47 51.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 m -103.24 115.88 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.22 123.08 61.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' CE ' HD23 ' A' ' 28' ' ' LEU . 7.0 ttmt -99.79 115.22 29.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' HB3' ' CD2' ' A' ' 122' ' ' LEU . 63.7 mt -108.42 148.78 29.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.433 ' CE3' ' HB3' ' A' ' 124' ' ' ASP . 37.0 t-105 -158.0 144.51 17.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 107.994 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.503 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 49.1 t80 -111.39 120.55 42.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -95.78 98.25 10.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -21.25 61.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.3 t -51.66 -71.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.27 3.9 58.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.9 m170 64.45 59.78 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.757 . . . . 0.0 109.6 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.1 150.74 49.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.0 tp -100.41 119.54 38.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.481 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.4 mp -93.02 109.51 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.0 t -115.87 113.2 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.51 121.86 44.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.566 ' CG2' ' CE3' ' A' ' 73' ' ' TRP . 51.1 mm -91.32 93.16 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 11.6 mt -58.1 -98.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.57 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.93 166.26 35.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -96.79 173.83 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.598 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.23 142.92 18.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 59.37 68.81 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 2.2 mp -101.29 158.44 31.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.422 ' O ' ' NE ' ' A' ' 42' ' ' ARG . 18.2 Cg_endo -75.07 120.34 6.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.787 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 t -95.44 171.57 8.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.031 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -111.47 77.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 36' ' ' ARG . 3.4 mt-10 52.16 174.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -74.02 58.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -125.3 -82.49 0.49 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.2 mmt-85 -143.68 150.04 49.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.478 ' HG2' ' CB ' ' A' ' 67' ' ' LYS . 18.3 Cg_endo -74.98 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.809 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' NE ' ' O ' ' A' ' 34' ' ' PRO . 1.2 ptp180 -129.85 -173.9 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -116.31 86.24 17.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 149.33 36.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.443 1.759 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 2.7 p90 -161.33 135.25 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.562 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 8.4 t -90.27 159.34 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.628 ' CD ' ' CE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -149.31 110.87 4.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.477 HD12 ' CG1' ' A' ' 27' ' ' ILE . 3.6 mt -91.83 154.59 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.628 ' CE2' ' CD ' ' A' ' 47' ' ' LYS . 1.1 m-85 -154.68 98.68 2.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.477 ' CE2' ' HG2' ' A' ' 90' ' ' ARG . 26.4 t80 -68.3 96.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.468 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 4.4 mp -70.58 160.22 82.33 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.97 -171.62 9.63 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.052 -2.478 . . . . 0.0 110.986 -0.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.463 ' O ' ' CG ' ' A' ' 54' ' ' ARG . 8.4 m-20 60.24 166.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.544 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 4.9 mtm105 -160.67 94.88 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.69 175.41 10.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.22 -27.65 9.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.65 -54.43 33.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -129.7 59.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 2.0 ttpt -126.28 120.39 29.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.548 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 25.9 mmt180 -123.21 121.31 35.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 62' ' ' THR . 17.4 ttm180 -131.77 138.68 48.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.41 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 69.8 p -81.45 165.2 21.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.58 144.22 48.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.4 m -80.65 112.37 17.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.359 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.474 ' CG1' HG23 ' A' ' 68' ' ' THR . 1.4 t -79.55 144.88 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -116.93 129.41 56.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 18.9 mtpt 50.78 87.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.496 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -177.69 113.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.42 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 54.2 mt -74.93 -19.46 60.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.473 ' HG3' ' HA ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -129.41 88.67 49.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.458 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.98 147.73 34.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -133.07 94.73 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.57 ' CZ3' ' HA2' ' A' ' 29' ' ' GLY . 2.9 m-90 -88.38 -42.67 12.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 108.058 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 38.31 37.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -88.31 179.81 6.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -131.91 149.16 52.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.548 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 31.8 m-85 -146.44 113.6 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.7 mt -96.54 125.12 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.524 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.1 m-85 -119.18 112.55 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.491 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.35 161.4 38.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.0 141.51 71.98 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.994 0.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 9.6 t -131.9 110.68 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.487 ' CD2' ' N ' ' A' ' 83' ' ' HIS . 2.5 m170 -90.72 163.03 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.627 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.503 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 9.6 tpt180 -74.37 -30.5 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -16.78 39.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.0 OUTLIER -77.6 -8.84 58.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.465 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 5.4 m-30 -60.3 -55.34 34.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -61.51 -14.73 31.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -102.23 -15.94 16.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.477 ' HG2' ' CE2' ' A' ' 50' ' ' PHE . 2.8 mpt_? -134.16 118.28 17.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.469 ' CE ' HD13 ' A' ' 114' ' ' LEU . 3.2 ttt -115.66 147.89 40.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.46 ' CG ' HD22 ' A' ' 117' ' ' LEU . 10.5 mt -92.44 152.18 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.435 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 13.1 tt0 -145.0 93.13 2.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.8 mp -92.13 147.63 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.523 ' HB ' ' CE2' ' A' ' 97' ' ' TRP . 0.8 OUTLIER -147.25 137.2 23.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.43 ' CD1' HG21 ' A' ' 46' ' ' VAL . 23.0 tp -103.84 132.83 49.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.578 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -139.54 170.6 15.62 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -121.7 120.07 33.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.43 82.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.94 179.25 6.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.1 163.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 99.4 t -93.09 -56.03 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -110.29 58.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -173.91 176.79 2.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -94.11 -58.35 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 38.84 64.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.1 p -77.11 126.74 31.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.047 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -97.02 -7.65 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.569 ' CE1' ' O ' ' A' ' 111' ' ' GLY . 66.5 t80 51.51 102.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 68.5 mt -76.17 -31.66 58.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.569 ' O ' ' CE1' ' A' ' 109' ' ' PHE . . . 170.04 -167.87 40.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.482 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.7 pt-20 -145.45 144.34 30.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 80.4 mt -128.72 108.76 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.469 HD13 ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -102.24 131.05 49.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.248 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.9 mt -136.94 123.95 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.414 ' CG ' ' HE1' ' A' ' 91' ' ' MET . 23.3 mt-10 -91.17 108.89 20.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.465 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 11.9 mt -43.27 -33.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -54.18 -51.64 63.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.3 p -110.3 29.19 7.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.462 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -83.35 113.07 20.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -67.84 93.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 1.2 mt -97.27 117.93 32.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.401 ' CB ' ' OE2' ' A' ' 125' ' ' GLU . 0.2 OUTLIER -158.17 26.0 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.433 ' HB3' ' CE3' ' A' ' 15' ' ' TRP . 5.7 p-10 44.93 51.65 8.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 125' ' ' GLU . 0.2 OUTLIER -133.61 146.51 60.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.288 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.486 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 122.07 6.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.426 ' CE1' HD21 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -121.24 142.64 49.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.598 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 80.2 m95 -97.68 105.83 18.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 107.998 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 127' ' ' HIS . 47.6 m-85 -98.83 122.35 41.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -68.95 141.23 55.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.6 mt -82.91 148.94 27.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -117.83 122.42 43.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 73.0 p -108.56 89.83 3.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -175.7 131.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.604 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -80.44 112.59 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.6 t -171.89 149.58 2.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.29 169.21 21.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 74.45 4.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.6 143.83 25.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 75.6 m 59.11 105.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 p -46.56 163.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.016 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 m -165.16 -49.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.961 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.44 157.31 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.7 p -110.45 172.51 6.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 0.785 . . . . 0.0 110.027 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t -176.99 135.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.034 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.41 -177.62 19.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.15 -110.24 0.41 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -141.95 140.51 32.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.438 ' CB ' HD13 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -124.33 143.85 50.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.604 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 33.3 m -112.24 114.84 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 27' ' ' ILE . 4.5 mt -125.63 128.23 72.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.444 ' CE ' HD23 ' A' ' 28' ' ' LEU . 4.3 ttmt -104.98 114.83 29.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 16.0 mt -108.08 153.29 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -158.28 152.2 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 108.027 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.545 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 32.1 t80 -121.03 119.88 33.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -95.45 91.16 6.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -19.98 66.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.1 t -54.92 -71.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.65 3.45 61.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 63.89 55.08 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.605 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.62 135.11 54.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD2' HD13 ' A' ' 92' ' ' LEU . 23.8 tp -89.4 119.15 29.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.473 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.4 mp -95.46 145.85 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.465 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -160.51 97.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -95.71 126.22 40.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.422 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.542 HG21 ' CE3' ' A' ' 73' ' ' TRP . 40.1 mm -87.95 93.55 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 15.6 mt -56.35 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.583 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -159.63 170.43 35.85 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -111.59 162.09 15.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -144.73 157.38 44.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.03 73.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -110.79 156.31 40.88 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 112.51 3.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.504 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -111.26 -33.14 6.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER 83.88 -15.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 6.2 mt-10 50.98 176.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 2.5 t0 82.63 -49.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.84 -119.97 4.69 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.492 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -131.06 161.74 59.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 40' ' ' ARG . 18.2 Cg_endo -74.99 -174.67 2.02 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -112.34 -174.31 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -112.35 94.94 29.01 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.17 31.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.464 1.771 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.4 p90 -177.5 124.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.493 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 7.9 t -83.93 158.55 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.539 ' CD ' ' CE2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -148.84 108.27 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.477 HD12 ' CG1' ' A' ' 27' ' ' ILE . 2.2 mt -92.0 159.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.55 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 1.5 m-85 -154.34 98.77 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.559 ' CZ ' ' HD2' ' A' ' 90' ' ' ARG . 47.7 t80 -68.56 89.67 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.503 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -55.82 156.67 9.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.07 -21.38 15.43 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.957 0.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -50.74 115.62 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 4.6 ttp180 -126.51 58.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.56 175.57 13.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 57' ' ' LYS . 4.1 p30 -47.79 173.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER 81.84 -62.54 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -105.82 20.99 18.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 2.8 ttmt -113.38 101.27 9.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -87.26 125.21 34.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -131.6 135.79 47.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.338 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.409 ' HB ' ' CD1' ' A' ' 73' ' ' TRP . 77.2 p -84.47 163.0 19.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -59.46 143.23 50.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -80.26 109.76 15.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.465 ' CG1' HG23 ' A' ' 68' ' ' THR . 1.1 t -79.75 141.61 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -113.4 134.4 54.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.481 ' CA ' ' HG2' ' A' ' 41' ' ' PRO . 9.4 mtpm? 47.66 85.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -178.78 114.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.504 ' CD1' ' HB2' ' A' ' 35' ' ' SER . 30.0 mt -78.87 -17.82 54.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -126.43 83.59 64.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.287 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.6 Cg_endo -74.96 146.21 32.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.431 1.753 . . . . 0.0 111.005 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -130.75 98.71 4.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.583 ' CZ3' ' HA2' ' A' ' 29' ' ' GLY . 4.6 m-90 -91.91 -44.82 8.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 108.002 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.444 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 40.27 37.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.507 ' O ' ' CG2' ' A' ' 26' ' ' THR . 2.5 mm100 -84.81 -177.67 6.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.443 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 2.2 m -130.9 146.75 52.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 76' ' ' THR . 30.4 m-85 -148.55 121.41 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.8 mt -108.94 144.48 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.529 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.1 m-85 -135.71 109.01 7.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.471 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.32 160.57 41.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.964 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.471 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -74.97 142.02 73.51 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.059 -0.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.529 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 14.0 t -133.76 112.31 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -88.85 170.04 11.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.624 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.545 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 8.4 tpt180 -80.55 -32.49 36.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -11.18 59.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.17 -5.35 57.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 90' ' ' ARG . 4.6 m-30 -63.77 -51.4 65.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -66.25 -15.11 62.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -99.16 -19.91 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.559 ' HD2' ' CZ ' ' A' ' 50' ' ' PHE . 22.7 mtt85 -128.13 120.96 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.491 ' HE3' ' CD1' ' A' ' 114' ' ' LEU . 3.1 ttt -119.09 149.96 40.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.458 HD13 ' CD2' ' A' ' 23' ' ' LEU . 10.5 mt -92.3 153.52 19.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -141.21 96.44 2.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.2 mp -96.58 140.57 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.47 HG21 ' CB ' ' A' ' 112' ' ' GLU . 0.6 OUTLIER -143.5 142.29 31.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.42 ' C ' ' CD1' ' A' ' 97' ' ' TRP . 21.1 tp -111.78 142.33 44.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.581 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -145.94 -167.27 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 108.012 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -145.24 119.1 9.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.08 120.89 24.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -121.28 -175.91 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 48.75 -176.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 32.2 m -111.16 -36.63 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -110.61 -79.35 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.82 126.34 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -40.11 -60.55 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 40.22 54.22 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.89 117.47 30.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.67 127.01 39.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.527 ' CZ ' ' C ' ' A' ' 111' ' ' GLY . 75.5 t80 -77.7 125.61 29.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.0 mt -94.45 -38.4 10.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.527 ' C ' ' CZ ' ' A' ' 109' ' ' PHE . . . 175.56 -177.93 47.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.47 ' CB ' HG21 ' A' ' 95' ' ' THR . 1.5 pt-20 -144.67 131.4 20.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.438 HD13 ' CB ' ' A' ' 10' ' ' LEU . 34.6 mt -117.01 102.66 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.491 ' CD1' ' HE3' ' A' ' 91' ' ' MET . 0.2 OUTLIER -95.98 132.19 41.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.8 mt -137.51 136.1 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -103.86 123.38 47.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.455 ' HA ' ' CB ' ' A' ' 120' ' ' ALA . 11.9 mt -51.18 -29.17 13.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -50.82 -52.29 42.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.9 p -120.2 31.53 6.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -72.31 140.6 48.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.98 89.24 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.5 mt -104.05 107.26 18.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 124' ' ' ASP . 2.0 t0 -173.18 34.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 123' ' ' ASP . 19.6 t0 39.12 48.39 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 4.7 mt-10 -126.95 129.15 24.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 110.233 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.48 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 123.13 7.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -126.13 132.64 51.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.604 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 90.0 m95 -81.81 105.69 13.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 107.978 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -92.02 132.45 36.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -71.85 141.71 49.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.59 140.21 29.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -102.16 117.27 34.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 21.6 p -111.04 165.87 11.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -42.32 122.24 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.602 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.16 95.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -41.82 159.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -137.97 174.6 21.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -52.27 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.7 t -178.21 106.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.5 t 61.46 111.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 p -163.46 116.55 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.71 138.56 28.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.04 -162.39 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.48 1.112 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 p -164.93 81.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 0.793 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t 43.4 85.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.63 179.95 7.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.37 -125.23 3.91 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -129.12 138.65 51.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -117.14 138.72 51.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.583 ' OG ' ' CH2' ' A' ' 128' ' ' TRP . 31.1 m -101.28 113.09 25.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mt -126.14 124.52 66.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' CE ' HD23 ' A' ' 28' ' ' LEU . 5.6 ttmt -104.39 116.46 32.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.404 ' CD2' HG23 ' A' ' 25' ' ' VAL . 21.4 mt -109.72 153.6 24.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 19.1 t-105 -158.45 154.7 27.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.004 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.55 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 37.8 t80 -119.99 120.89 37.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.16 86.79 3.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -18.71 58.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.097 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.0 t -55.15 -69.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.66 4.93 61.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.0 m80 59.61 60.15 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.628 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.472 ' CB ' HG21 ' A' ' 78' ' ' ILE . 1.2 mt-30 -129.92 153.84 47.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.438 ' CD2' HD12 ' A' ' 92' ' ' LEU . 11.7 tp -101.89 115.89 31.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.438 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.6 mp -89.84 101.63 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.404 HG23 ' CD2' ' A' ' 14' ' ' LEU . 39.7 t -107.77 106.14 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.4 ' OG1' ' OG1' ' A' ' 76' ' ' THR . 0.9 OUTLIER -103.09 123.3 46.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.374 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.591 HG22 ' CE3' ' A' ' 73' ' ' TRP . 42.4 mm -94.4 91.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 15.0 mt -55.15 -100.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.578 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -159.73 165.91 34.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.49 155.75 18.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.556 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -145.12 165.49 28.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 52.29 54.26 11.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -94.96 155.28 39.27 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 133.98 17.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.491 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . 87.1 p -124.41 -174.5 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 61.58 136.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 178.46 -68.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -127.21 36.62 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.67 23.92 76.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -124.41 162.27 43.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.265 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.599 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 18.4 Cg_endo -74.96 -90.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.766 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.599 ' CG ' ' O ' ' A' ' 41' ' ' PRO . 0.2 OUTLIER 166.2 154.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 -120.34 78.86 27.56 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HG2' ' HG3' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -74.98 153.1 41.63 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.619 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 1.5 p90 -175.68 120.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.577 HG22 ' CH2' ' A' ' 73' ' ' TRP . 3.1 t -79.67 157.91 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 61' ' ' ARG . 2.9 ttmm -146.2 111.74 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.473 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.3 mt -90.62 134.24 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -138.07 98.13 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -73.72 125.5 28.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.492 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -103.73 155.84 36.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.535 ' O ' ' CB ' ' A' ' 53' ' ' ASP . 18.4 Cg_endo -74.98 130.52 21.48 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.945 -2.523 . . . . 0.0 111.012 -0.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 6.0 m-20 153.21 98.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -109.76 37.27 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.78 -178.77 5.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 57' ' ' LYS . 3.5 m-20 -54.05 -178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER 86.52 -77.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.439 ' OD1' ' CE1' ' A' ' 79' ' ' TYR . 5.3 t-20 -93.69 24.44 4.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 1.9 ttpt -115.93 127.02 54.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.91 120.95 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.411 ' HB3' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -123.17 162.3 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.555 ' HB ' ' CD1' ' A' ' 73' ' ' TRP . 45.3 p -82.87 164.3 20.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -59.31 146.48 39.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -81.02 115.14 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.437 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -91.47 135.58 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -113.68 136.03 53.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt 59.87 73.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.481 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.8 OUTLIER -176.8 114.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.491 ' CD1' ' HB3' ' A' ' 35' ' ' SER . 39.1 mt -81.39 -18.69 44.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.438 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.6 mt-10 -127.28 84.48 63.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.543 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.96 160.52 40.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -141.96 90.91 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.591 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.4 m-90 -84.58 -40.43 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 107.94 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.485 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER 36.97 34.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' TRP . 1.9 mm100 -86.82 -179.53 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.4 ' OG1' ' OG1' ' A' ' 26' ' ' THR . 1.1 m -132.9 148.19 52.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -140.52 113.05 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.472 HG21 ' CB ' ' A' ' 22' ' ' GLN . 58.8 mt -95.35 111.92 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.468 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.4 OUTLIER -107.6 112.84 25.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.514 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -145.53 162.72 35.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.514 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.01 142.06 73.62 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.003 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 24.3 t -136.81 105.29 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -91.03 165.19 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.562 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.55 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 9.6 tpt180 -78.8 -22.5 46.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.36 -1.42 55.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -102.01 -11.57 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.462 ' CE2' ' HD2' ' A' ' 84' ' ' ARG . 4.4 m-30 -60.39 -39.44 87.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -84.54 4.56 31.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' O ' ' NE ' ' A' ' 90' ' ' ARG . 32.8 mt-10 -124.35 4.61 8.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 0.3 OUTLIER -151.66 154.49 36.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 2.2 ttt -143.51 148.95 36.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.438 HD12 ' CD2' ' A' ' 23' ' ' LEU . 6.4 mt -93.01 148.63 21.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -133.61 98.55 4.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.459 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 2.2 mp -101.82 146.09 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.502 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -144.61 152.63 40.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 31.2 tp -116.25 130.74 56.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.566 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -133.96 169.36 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.01 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -124.02 102.16 7.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.98 106.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.0 -175.01 4.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.425 ' CG ' ' HB2' ' A' ' 106' ' ' GLU . 2.7 mmm180 43.5 -162.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 110.338 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.1 m -124.25 170.75 14.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.3 mtt85 51.64 24.91 2.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 51.36 93.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -127.4 -60.27 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.425 ' HB2' ' CG ' ' A' ' 101' ' ' ARG . 0.6 OUTLIER -106.79 151.41 25.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 m -136.55 116.64 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.35 134.26 35.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.441 ' HB2' ' CZ3' ' A' ' 97' ' ' TRP . 13.2 t80 -84.03 125.45 32.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.482 HD13 ' CZ ' ' A' ' 42' ' ' ARG . 93.0 mt -94.07 -57.43 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -159.36 176.57 36.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.502 ' CB ' HG22 ' A' ' 95' ' ' THR . 0.4 OUTLIER -135.71 144.78 46.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 17.0 mt -129.54 112.01 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.465 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -103.04 131.64 49.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.3 mt -136.62 125.06 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 120' ' ' ALA . 18.4 mt-10 -88.26 123.17 32.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.424 HD11 ' CZ ' ' A' ' 50' ' ' PHE . 15.0 mt -53.0 -31.15 39.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.4 -50.79 71.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.3 p -102.68 22.24 14.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 116' ' ' GLU . . . -74.11 102.5 4.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -64.78 87.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.2 mt -90.93 120.59 32.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -157.97 26.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.562 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 53.0 t0 41.32 39.66 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.64 149.34 64.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.486 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 124.32 8.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -126.1 131.17 52.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.608 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.583 ' CH2' ' OG ' ' A' ' 11' ' ' SER . 96.8 m95 -88.02 117.45 26.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 107.984 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -107.45 115.25 29.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -58.05 142.23 47.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.35 146.87 23.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -120.64 121.33 38.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.245 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 23.8 p -109.58 -53.81 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.8 57.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -59.72 163.99 4.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 9.9 p -179.21 117.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 125.78 175.48 14.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 165.97 30.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.1 t -150.25 103.44 3.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.9 118.89 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.19 166.88 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.75 119.01 16.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.58 148.28 11.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t -152.11 78.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 0.732 . . . . 0.0 110.033 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p -168.14 100.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.47 ' CA ' ' HB2' ' A' ' 131' ' ' LEU . . . -50.32 146.05 9.0 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.407 ' C ' HD21 ' A' ' 131' ' ' LEU . . . -89.79 -130.72 4.22 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -147.37 128.75 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.524 ' CB ' ' CD1' ' A' ' 113' ' ' ILE . 0.2 OUTLIER -117.98 141.69 48.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.422 ' N ' HD23 ' A' ' 10' ' ' LEU . 66.1 m -105.42 111.17 23.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.2 mt -123.69 122.1 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -103.96 114.83 29.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.424 ' CB ' HD23 ' A' ' 122' ' ' LEU . 12.2 mt -107.2 155.07 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.443 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 10.6 t-105 -157.29 147.4 20.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.416 ' CD1' ' HZ ' ' A' ' 87' ' ' PHE . 46.8 t80 -117.26 128.09 54.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -106.04 91.69 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -20.35 66.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.0 t -50.53 -68.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.54 8.11 47.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.9 m80 60.62 53.31 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.573 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.412 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -121.74 118.9 30.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.528 ' CD1' ' CG2' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -76.52 126.89 31.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.458 HG13 ' CG1' ' A' ' 78' ' ' ILE . 1.7 mp -99.21 131.18 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.528 ' CG2' ' CD1' ' A' ' 23' ' ' LEU . 48.2 t -130.58 119.96 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.34 129.1 54.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.394 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.481 ' CG1' HD12 ' A' ' 48' ' ' ILE . 48.1 mm -101.51 88.43 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.484 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 12.1 mt -52.1 -99.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.566 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.59 171.55 35.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.27 155.64 21.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.561 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -143.83 161.63 38.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 58.75 59.89 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.39 163.57 17.97 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 123.21 7.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.789 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.508 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . 5.9 p -130.36 -166.14 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.527 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 2.5 mtm180 53.22 -174.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 1.3 tt0 88.07 -73.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.56 -1.56 57.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.57 -56.4 4.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.145 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -78.45 157.53 77.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.499 ' HG2' ' CB ' ' A' ' 67' ' ' LYS . 18.2 Cg_endo -75.01 -95.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 41' ' ' PRO . 2.4 ptp180 158.77 -179.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -117.2 86.03 20.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 138.84 23.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.7 p90 -150.98 131.88 14.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.6 HG21 ' CZ2' ' A' ' 73' ' ' TRP . 13.0 t -83.65 163.1 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 4.2 ttpt -147.81 109.53 4.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.481 HD12 ' CG1' ' A' ' 27' ' ' ILE . 3.3 mt -90.65 152.07 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 6.6 m-85 -151.77 98.48 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -67.31 92.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.504 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 4.5 mp -73.89 154.8 88.96 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -74.97 133.0 29.42 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.981 -0.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 54' ' ' ARG . 4.1 t70 174.8 168.74 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.148 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' CB ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER 160.02 72.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.1 -48.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 57' ' ' LYS . 0.4 OUTLIER 172.27 -175.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER 82.69 -76.06 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -92.38 19.22 7.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 4.0 ttmt -94.93 108.48 20.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.59 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -118.59 140.59 49.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 62' ' ' THR . 13.6 ttp180 -139.73 142.7 36.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.405 ' O ' ' HG2' ' A' ' 61' ' ' ARG . 59.9 p -81.22 162.82 23.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -57.28 141.77 45.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.9 m -80.09 111.06 16.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.405 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.482 ' CG1' HG21 ' A' ' 68' ' ' THR . 1.5 t -74.03 149.33 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -112.8 118.69 35.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.499 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 61.1 mtpt 50.19 97.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.518 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.9 OUTLIER -177.99 110.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' A' ' 35' ' ' SER . 2.1 mp -67.51 -23.35 65.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.429 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 4.5 mt-10 -128.11 90.67 46.7 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.576 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -75.01 145.21 31.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -131.49 96.32 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.6 ' CZ2' HG21 ' A' ' 46' ' ' VAL . 4.4 m-90 -91.19 -47.9 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.019 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 2.7 m120 40.4 48.63 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -93.47 179.46 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.6 m -125.65 146.37 49.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.432 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 59.2 m-85 -149.46 113.39 5.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.458 ' CG1' HG13 ' A' ' 24' ' ' ILE . 6.8 mt -103.07 140.61 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 59.3 m-85 -136.13 117.68 14.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.443 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -147.13 158.9 43.93 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.092 . . . . 0.0 110.021 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.443 ' C ' ' HA ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -74.95 142.08 73.69 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.026 -0.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.536 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 19.6 t -134.47 113.82 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -104.7 166.77 10.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -68.57 -50.47 51.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -12.25 28.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.5 mm-40 -84.72 -22.62 29.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.462 ' HB3' ' N ' ' A' ' 118' ' ' GLU . 11.1 m-30 -52.85 -55.87 19.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -15.77 13.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -102.34 -15.54 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.452 ' HG3' ' CD ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -138.73 119.19 13.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.48 ' CG ' ' N ' ' A' ' 92' ' ' LEU . 1.2 ttt -117.31 158.1 24.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.48 ' N ' ' CG ' ' A' ' 91' ' ' MET . 37.7 mt -96.72 148.55 22.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.407 ' HA ' HD21 ' A' ' 114' ' ' LEU . 12.3 tt0 -135.66 91.78 2.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.42 ' CG2' ' CG1' ' A' ' 46' ' ' VAL . 3.4 mp -94.09 131.29 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.569 ' HB ' ' CZ2' ' A' ' 97' ' ' TRP . 0.9 OUTLIER -135.36 144.74 46.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.499 HD12 ' CD1' ' A' ' 110' ' ' LEU . 0.7 OUTLIER -105.76 142.48 35.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.585 ' CZ3' ' HB2' ' A' ' 109' ' ' PHE . 1.1 m95 -149.63 144.23 26.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 108.005 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 1.0 OUTLIER -105.83 109.13 20.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.42 ' HG2' ' NE ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER -44.21 120.64 2.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -131.39 -67.2 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.458 ' HA ' ' CG ' ' A' ' 106' ' ' GLU . 2.1 mpt_? 63.36 178.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.419 ' O ' ' O ' ' A' ' 101' ' ' ARG . 2.2 m 47.66 -175.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.69 -93.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -166.8 162.71 16.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 37.43 72.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.458 ' CG ' ' HA ' ' A' ' 101' ' ' ARG . 1.3 mp0 -47.03 -69.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.79 107.08 8.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -75.79 -17.65 59.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.599 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 65.0 t80 56.2 114.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.499 ' CD1' HD12 ' A' ' 96' ' ' LEU . 54.1 mt -87.78 -16.89 32.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.599 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 150.65 169.22 16.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.471 ' CB ' HG21 ' A' ' 95' ' ' THR . 2.7 pt-20 -124.54 136.21 53.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.524 ' CD1' ' CB ' ' A' ' 10' ' ' LEU . 59.2 mt -118.09 104.85 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -93.58 134.63 35.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.4 HD13 ' CG2' ' A' ' 113' ' ' ILE . 4.8 mt -136.89 118.88 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.418 ' CG ' ' HE1' ' A' ' 91' ' ' MET . 41.8 mt-10 -87.64 115.29 24.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.48 HD22 ' CD1' ' A' ' 92' ' ' LEU . 17.2 mt -48.99 -29.78 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.462 ' N ' ' HB3' ' A' ' 87' ' ' PHE . 7.1 tt0 -51.49 -53.79 33.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 8.4 p -118.04 30.95 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.439 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -71.9 140.88 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.2 mt -79.44 89.45 5.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.424 HD23 ' CB ' ' A' ' 14' ' ' LEU . 5.0 mt -101.99 111.34 23.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 124' ' ' ASP . 2.7 t0 -177.07 36.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.443 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 5.5 t0 39.25 33.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -108.89 127.73 26.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.484 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.96 124.02 8.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -125.72 147.09 49.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.613 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.561 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 93.6 m95 -97.73 107.73 20.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 107.977 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -101.15 104.64 15.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.74 151.93 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.693 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -91.94 157.53 16.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 12.1 pt20 -128.12 113.38 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 40.5 p -101.33 143.34 31.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 50.93 98.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.543 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.03 123.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.51 168.23 20.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.987 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -159.42 169.36 35.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.28 6.01 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.52 94.93 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 77.2 p -67.21 168.59 10.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 63.9 155.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 110.01 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -177.83 129.16 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.968 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.35 141.0 3.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p -128.78 75.88 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 m -138.87 113.73 9.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.488 ' CA ' ' HB2' ' A' ' 131' ' ' LEU . . . -79.47 148.64 31.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.55 -135.19 8.76 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.413 ' HG2' ' CG ' ' A' ' 130' ' ' LYS . 33.6 mt-30 -147.11 124.36 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 113' ' ' ILE . 33.9 tp -114.56 141.33 47.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 128' ' ' TRP . 3.9 t -103.09 120.72 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mt -129.75 130.16 66.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -106.77 115.38 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' HB3' ' CD2' ' A' ' 122' ' ' LEU . 12.7 mt -110.26 152.93 25.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 24' ' ' ILE . 9.0 t-105 -158.31 159.22 35.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -125.98 128.31 47.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.406 ' HB3' ' OE1' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -113.59 88.67 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -20.6 63.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.0 t -52.92 -74.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.533 ' CA ' ' OE1' ' A' ' 22' ' ' GLN . . . -88.99 2.45 84.06 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 30.7 m80 61.66 39.13 14.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.536 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -118.83 119.35 34.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.63 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.29 142.27 48.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.138 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.536 ' CD1' ' O ' ' A' ' 22' ' ' GLN . 1.5 mp -111.17 129.32 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.476 HG13 ' CD1' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -145.93 99.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.471 ' CG2' ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -97.82 137.3 36.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.569 HG23 ' CE3' ' A' ' 73' ' ' TRP . 46.0 mm -98.26 93.31 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 16.2 mt -56.69 -100.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.561 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.92 172.05 35.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.49 ' CB ' HD11 ' A' ' 10' ' ' LEU . . . -105.78 170.61 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -160.34 158.5 29.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 54.37 37.29 27.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp -76.85 145.69 74.75 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 100.09 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 p -59.38 -167.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.033 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.28 159.54 15.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.53 -56.89 12.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.314 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.85 -38.11 2.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.44 -56.98 0.73 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -40.25 158.13 0.15 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.419 ' HG2' ' CG ' ' A' ' 67' ' ' LYS . 18.4 Cg_endo -74.94 -160.63 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.449 ' NH1' HD12 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -149.72 -169.49 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -122.83 85.87 50.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HG3' ' NH2' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -75.0 156.43 43.0 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.7 p90 -161.13 130.97 4.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.694 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 4.9 t -87.36 155.8 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -147.0 109.55 4.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.5 mt -91.5 149.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.55 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -152.02 102.2 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.48 ' CZ ' HD13 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -72.38 102.76 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.484 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -69.61 158.94 85.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.5 Cg_endo -75.0 -13.75 23.45 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.009 0.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -40.23 109.43 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.234 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -136.91 73.47 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.74 -46.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -179.39 -156.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.2 mttt 67.37 -81.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -94.09 44.46 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 3.5 ttpt -125.23 112.41 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.585 ' HG2' ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -123.82 148.34 46.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 62' ' ' THR . 6.9 ttm180 -138.43 142.21 39.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 110.331 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.45 ' HB ' ' CD1' ' A' ' 73' ' ' TRP . 28.1 p -81.93 160.05 23.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.98 144.62 44.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.9 m -80.53 109.32 14.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.42 ' CG1' HG21 ' A' ' 68' ' ' THR . 1.4 t -76.69 146.19 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -113.56 132.93 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.419 ' CG ' ' HG2' ' A' ' 41' ' ' PRO . 6.6 mtmt 44.22 90.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.514 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -179.16 111.97 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.449 HD12 ' NH1' ' A' ' 42' ' ' ARG . 5.7 mp -74.03 -19.1 60.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.8 mt-10 -129.31 89.3 48.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.532 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.2 Cg_endo -74.98 149.9 37.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -135.0 94.43 3.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.694 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 3.3 m-90 -89.24 -41.26 12.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 107.987 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 38.31 36.48 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.471 ' O ' ' CG2' ' A' ' 26' ' ' THR . 2.0 mm100 -85.27 174.18 9.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.464 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 5.8 m -123.22 147.63 46.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.585 ' CE1' ' HG2' ' A' ' 60' ' ' ARG . 28.2 m-85 -146.35 113.21 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 11.1 mt -102.35 138.19 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.564 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 44.6 m-85 -132.76 120.35 21.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.453 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.97 157.58 46.4 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.453 ' C ' ' HA ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -74.96 138.76 57.92 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.042 -0.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.564 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 19.7 t -133.27 108.96 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -103.0 168.67 9.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.617 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -80.33 -14.1 58.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.282 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -6.29 49.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.63 -36.67 14.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.245 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.515 ' CG ' ' HB3' ' A' ' 117' ' ' LEU . 11.9 m-30 -38.12 -52.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -42.32 -48.48 5.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -103.39 26.04 8.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -151.01 114.76 4.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -125.55 149.76 48.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.433 ' CD1' HD22 ' A' ' 117' ' ' LEU . 9.1 mt -95.04 146.95 23.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.41 ' HA ' HD22 ' A' ' 114' ' ' LEU . 9.4 tt0 -130.09 108.38 10.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 113' ' ' ILE . 3.0 mp -108.0 137.94 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.456 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -138.56 146.14 41.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.2 tp -117.92 134.61 54.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -139.19 163.43 32.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 107.987 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 100' ' ' ALA . 0.5 OUTLIER -120.31 107.65 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.19 81.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 98' ' ' ASP . . . -74.33 179.74 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 100' ' ' ALA . 17.9 mmm180 61.11 135.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.2 p -50.36 -55.42 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -141.43 88.89 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.9 147.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.06 85.39 6.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.34 73.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.2 m -79.21 136.17 37.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 109' ' ' PHE . 5.9 pt-20 -101.38 9.77 41.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 108' ' ' GLU . 87.9 t80 39.22 93.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.3 mt -68.99 -20.55 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 149.34 -172.35 29.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.456 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.3 pt-20 -144.63 134.71 24.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.79 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.497 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 48.6 mt -116.23 114.8 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.462 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.2 OUTLIER -105.89 136.09 46.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.9 mt -137.37 125.47 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 120' ' ' ALA . 25.4 mt-10 -88.61 120.7 30.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.515 ' HB3' ' CG ' ' A' ' 87' ' ' PHE . 11.5 mt -55.87 -29.12 59.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.45 ' N ' ' HB3' ' A' ' 87' ' ' PHE . 2.7 tt0 -55.92 -52.47 64.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.7 p -112.92 26.68 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.452 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -72.17 140.93 49.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 98.7 mt -83.88 90.31 7.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 10.5 mt -102.53 103.1 13.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -161.78 31.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.0 t0 47.34 27.68 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -105.82 121.78 44.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.475 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 125.23 9.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -119.4 173.56 6.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.569 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.564 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 88.7 m95 -121.6 107.36 12.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 108.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -100.34 115.53 30.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.413 ' CG ' ' HG2' ' A' ' 9' ' ' GLN . 13.4 mtmt -63.64 156.72 25.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.674 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -92.13 161.47 14.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -128.29 114.94 17.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 51.7 p -111.33 -60.02 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.428 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.43 148.82 40.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.52 106.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 m -77.03 159.72 29.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -110.17 168.53 13.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 177.1 9.02 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.58 -58.57 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.84 155.4 20.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.952 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.18 152.82 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 p 57.89 165.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.947 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.91 139.45 5.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.12 80.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -167.06 148.35 5.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.46 153.38 23.13 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.572 1.17 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.25 -131.51 5.23 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -131.36 139.12 49.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 0.729 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 113' ' ' ILE . 0.2 OUTLIER -122.46 141.32 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.505 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 79.0 p -110.49 115.72 30.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.437 HG12 ' CD1' ' A' ' 27' ' ' ILE . 6.2 mt -126.71 129.02 71.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' CE ' HD21 ' A' ' 28' ' ' LEU . 4.1 ttmt -104.33 121.98 44.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 14.9 mt -114.36 153.29 30.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -158.3 150.88 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 12.1 t80 -115.55 127.73 55.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.4 81.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.68 -18.34 30.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.56 -72.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.42 9.06 64.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.7 m80 59.64 63.3 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.631 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.71 143.33 49.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.2 tp -96.09 117.61 31.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.509 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.4 mp -93.03 124.76 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.445 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -136.42 107.85 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.511 ' CG2' ' O ' ' A' ' 75' ' ' GLN . 1.2 m -105.19 122.77 46.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.546 HG21 ' CE3' ' A' ' 73' ' ' TRP . 44.5 mm -86.38 96.68 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' HA ' ' HA ' ' A' ' 74' ' ' ASN . 15.8 mt -59.05 -100.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.576 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -161.0 161.04 32.58 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.64 159.58 14.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -155.3 164.44 38.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 59.53 27.49 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.78 158.49 12.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 35' ' ' SER . 18.2 Cg_endo -75.02 -26.27 11.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.469 ' OG ' ' N ' ' A' ' 36' ' ' ARG . 46.7 t 37.24 -151.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.947 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.469 ' N ' ' OG ' ' A' ' 35' ' ' SER . 0.0 OUTLIER 59.02 151.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.93 -77.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -130.6 23.89 5.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.34 -49.48 0.84 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -74.49 168.98 21.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 18.4 Cg_endo -74.97 -94.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.569 1.826 . . . . 0.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 41' ' ' PRO . 1.4 ptp180 156.81 177.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -120.57 88.37 42.93 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.76 42.88 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.773 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 19.3 p90 -167.36 123.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.533 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 4.4 t -81.09 154.09 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -144.13 110.81 5.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.462 HD13 ' CG1' ' A' ' 27' ' ' ILE . 3.3 mt -92.0 157.95 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 6.0 m-85 -154.71 99.19 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -66.25 87.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.479 ' CB ' ' HA ' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -55.17 161.62 2.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 51' ' ' LEU . 18.5 Cg_endo -74.95 -22.5 13.84 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.994 -2.502 . . . . 0.0 110.993 -0.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -41.49 140.81 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -168.59 91.56 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.06 -48.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 58' ' ' ASN . 10.4 t0 176.4 -170.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 mttp 68.91 -68.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.7 p-10 -90.4 16.82 8.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 8.0 ttmt -89.39 116.9 27.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.452 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 19.3 mmt180 -113.34 120.61 41.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 18.8 ttp-105 -135.06 140.71 45.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.4 p -82.76 170.85 14.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -69.96 144.51 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.9 m -80.11 112.98 17.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.488 ' CG1' HG23 ' A' ' 68' ' ' THR . 1.4 t -79.22 152.27 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 67' ' ' LYS . 12.8 mmtt -113.11 126.09 55.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.48 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 3.0 mttp 44.33 93.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.488 HG23 ' CG1' ' A' ' 65' ' ' VAL . 1.4 t -176.47 117.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.465 HD13 ' CB ' ' A' ' 35' ' ' SER . 2.8 mt -78.75 -20.26 50.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -126.29 83.73 63.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.547 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.5 Cg_endo -74.98 133.34 16.5 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.555 1.818 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -117.41 99.17 6.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.576 ' CZ3' ' HA2' ' A' ' 29' ' ' GLY . 4.8 m-90 -92.24 -42.4 9.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 108.038 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.467 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER 38.02 36.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.511 ' O ' ' CG2' ' A' ' 26' ' ' THR . 2.1 mm100 -85.69 173.81 9.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.413 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 1.4 m -125.71 145.81 50.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.452 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 35.7 m-85 -146.71 114.32 6.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.8 mt -98.09 136.84 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.504 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.2 m-85 -126.63 111.83 14.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.475 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -146.1 160.95 41.45 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.475 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.5 Cg_endo -74.96 141.14 70.89 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.051 -2.479 . . . . 0.0 111.016 -0.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 19.9 t -135.17 115.49 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -99.77 156.32 17.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.583 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.475 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 3.9 tpt180 -70.31 -20.55 63.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.407 ' NE ' ' HG2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -87.72 -12.01 46.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.407 ' HG2' ' NE ' ' A' ' 85' ' ' ARG . 1.6 mm-40 -91.91 -3.86 55.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -64.02 -42.64 97.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.33 1.81 20.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -122.08 -0.65 9.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.74 132.43 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -129.15 154.97 46.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.468 HD21 ' CD2' ' A' ' 117' ' ' LEU . 0.3 OUTLIER -95.37 153.13 17.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.522 ' HG3' ' CD1' ' A' ' 114' ' ' LEU . 12.9 tt0 -138.41 91.98 2.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.8 139.5 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.494 ' CG2' ' HB2' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -133.09 144.62 50.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.41 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.3 tp -122.58 132.41 54.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.583 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -140.3 -179.14 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 107.971 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -131.64 114.94 15.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.82 103.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -117.63 -173.23 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 52.17 -178.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.4 m -112.13 -39.62 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -135.5 -66.31 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -41.45 142.2 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.91 99.0 3.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -138.8 70.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.2 m -107.72 142.34 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.35 130.34 50.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.311 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -79.31 100.25 7.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.417 HD22 ' NH1' ' A' ' 42' ' ' ARG . 16.7 mt -68.99 -31.21 69.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 143.84 152.33 5.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.494 ' HB2' ' CG2' ' A' ' 95' ' ' THR . 1.1 pt-20 -114.48 151.21 33.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 76.4 mt -121.04 101.39 10.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.522 ' CD1' ' HG3' ' A' ' 93' ' ' GLU . 1.3 mp -91.54 146.96 23.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 114' ' ' LEU . 2.0 mp -142.64 139.52 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -100.15 108.83 21.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.468 ' CD2' HD21 ' A' ' 92' ' ' LEU . 7.8 mt -45.98 -30.15 1.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -59.9 -45.68 91.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.5 p -112.21 22.36 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -78.39 117.06 19.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -74.82 86.9 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.91 125.98 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.9 t0 177.85 38.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.5 t70 40.41 39.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -111.35 120.65 42.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.461 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.07 122.45 7.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -126.36 142.69 51.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.531 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 96.2 m95 -92.18 106.9 18.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -95.69 134.07 39.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -75.26 144.05 42.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.25 150.46 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -119.52 142.49 48.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 70.3 p -125.06 106.73 10.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 67.2 83.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.611 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -165.42 -44.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.74 -81.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 122.52 171.25 13.79 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 158.56 41.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.555 1.819 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.49 125.1 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 164.59 20.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -156.22 -51.83 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.751 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 m -92.08 166.55 12.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.96 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.9 155.68 7.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.29 152.73 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.047 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -175.73 68.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.04 142.28 2.71 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -125.0 -131.98 3.73 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -148.2 123.73 10.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.454 ' CB ' HD13 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -110.52 136.55 49.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.591 ' OG ' ' CE3' ' A' ' 128' ' ' TRP . 37.6 m -99.88 120.87 40.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 mt -131.62 125.24 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.6 ttmt -101.27 114.4 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.455 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 15.9 mt -107.74 154.85 20.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.491 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 29.7 t-105 -158.66 159.82 35.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 107.981 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.409 ' HB2' ' CD1' ' A' ' 122' ' ' LEU . 32.2 t80 -125.61 120.41 30.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -100.31 82.89 2.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -18.52 45.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.5 t -52.78 -65.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.96 5.56 42.64 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 63.52 59.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.586 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.55 139.47 52.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.478 ' CD2' HD13 ' A' ' 92' ' ' LEU . 25.8 tp -91.13 118.36 30.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.442 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.6 mp -93.4 131.88 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.455 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -145.6 105.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 75' ' ' GLN . 1.1 m -103.04 122.23 44.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.518 HG21 ' CE3' ' A' ' 73' ' ' TRP . 36.9 mm -85.81 100.35 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 12.8 mt -64.79 -99.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.46 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -154.11 171.82 32.73 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.12 159.11 18.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.553 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -151.36 169.82 21.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 62.96 25.72 15.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.3 mt -75.88 153.35 84.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 154.24 42.13 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.485 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 30.9 t -127.54 -172.6 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' N ' ' OG ' ' A' ' 35' ' ' SER . 4.8 ptp180 -149.64 154.31 38.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 62.13 -171.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.08 -26.91 64.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.4 82.3 0.08 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -145.96 109.82 4.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.544 1.813 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.406 ' NH1' ' OD2' ' A' ' 98' ' ' ASP . 4.9 ptp180 -146.9 -170.15 3.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -116.66 81.46 11.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.8 32.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.458 1.767 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.5 p90 -175.47 135.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.711 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 3.3 t -92.14 160.48 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -149.66 105.07 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.501 HD13 ' CG1' ' A' ' 27' ' ' ILE . 2.3 mt -92.4 150.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -154.99 98.07 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.504 ' O ' ' CB ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -58.68 109.23 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.492 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 3.8 mp -74.04 158.27 85.94 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -74.99 -7.69 23.26 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.97 -0.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -45.05 129.58 7.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.566 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 7.3 mtm180 -157.44 40.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.25 -61.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.033 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' LYS . 8.5 p-10 178.03 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -39.26 -55.49 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -109.27 58.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 4.0 ttmt -118.51 101.72 8.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -108.96 116.53 32.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -126.89 136.32 52.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.1 p -81.92 166.68 19.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.41 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.09 145.19 43.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.7 m -81.16 110.31 16.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.452 ' CG1' HG21 ' A' ' 68' ' ' THR . 1.5 t -77.67 149.09 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -122.86 128.3 50.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt 53.85 85.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.504 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -178.52 113.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.358 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.485 ' CD2' ' HB2' ' A' ' 35' ' ' SER . 5.4 mp -71.61 -22.3 61.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.438 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 4.7 mt-10 -130.18 92.59 35.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.611 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.2 Cg_endo -75.03 147.53 33.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HG3' ' C ' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -127.2 95.07 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.711 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 4.8 m-90 -88.87 -45.79 9.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 108.023 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER 40.48 33.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.508 ' O ' ' CG2' ' A' ' 26' ' ' THR . 0.6 OUTLIER -83.38 -177.28 6.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.9 m -132.82 139.25 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -140.64 116.2 10.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.6 mt -101.85 146.69 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.532 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.3 m-85 -136.55 110.52 8.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.62 160.52 41.14 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.47 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -74.97 141.51 71.99 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.979 0.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 6.7 t -131.55 119.35 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -102.19 168.23 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.576 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -84.23 -19.92 33.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.367 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.35 -3.99 58.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.11 -29.18 13.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 6.8 m-30 -44.42 -55.12 5.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -45.35 -53.78 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -89.99 29.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.451 ' HD3' ' CZ ' ' A' ' 50' ' ' PHE . 2.5 mtt180 -142.54 142.07 32.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.585 ' HA ' ' CD1' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -152.38 135.07 15.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.478 HD13 ' CD2' ' A' ' 23' ' ' LEU . 1.4 mt -92.0 131.06 37.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 24.5 tt0 -115.34 98.21 6.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.35 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.444 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 3.0 mp -91.92 145.85 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.532 ' HB ' ' CE2' ' A' ' 97' ' ' TRP . 0.8 OUTLIER -144.44 140.36 28.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.468 ' CD1' HG23 ' A' ' 46' ' ' VAL . 27.0 tp -114.0 135.9 53.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.532 ' CE2' ' HB ' ' A' ' 95' ' ' THR . 0.1 OUTLIER -142.94 165.78 26.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 107.988 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.406 ' OD2' ' NH1' ' A' ' 42' ' ' ARG . 3.3 t0 -120.83 104.94 10.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -38.12 109.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.54 -174.16 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 58.34 164.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.2 m -100.03 -37.73 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -99.46 50.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 51.52 -174.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 68.57 -173.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 52.63 90.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.37 119.52 38.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -61.94 -20.58 63.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.414 ' CD1' ' CZ3' ' A' ' 97' ' ' TRP . 36.9 t80 51.17 101.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.9 mt -72.58 -33.77 66.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.79 -178.66 36.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.471 ' CB ' HG21 ' A' ' 95' ' ' THR . 3.0 pt-20 -137.64 136.64 37.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 0.79 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.454 HD13 ' CB ' ' A' ' 10' ' ' LEU . 70.8 mt -114.68 111.98 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.467 HD12 ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -95.4 133.69 39.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mt -140.54 143.43 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 120' ' ' ALA . 6.6 mt-10 -109.95 139.45 45.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.585 ' CD1' ' HA ' ' A' ' 91' ' ' MET . 1.8 mp -77.26 -16.21 59.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -57.8 -38.02 74.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.344 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 67.7 p -134.25 10.14 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -40.26 136.44 1.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.46 87.39 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.409 ' CD1' ' HB2' ' A' ' 16' ' ' PHE . 43.8 mt -97.93 77.45 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.22 2.85 9.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.491 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 27.5 t70 61.58 26.22 15.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.99 150.85 45.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.481 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 121.85 6.84 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -125.9 131.82 52.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.591 ' CE3' ' OG ' ' A' ' 11' ' ' SER . 96.0 m95 -83.49 137.86 33.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -131.89 122.27 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 153.74 34.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.65 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -90.81 159.75 16.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -128.14 113.54 15.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.9 p -110.9 97.64 6.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.01 127.06 1.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 22.0 t70 63.74 108.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.9 t -131.55 144.81 51.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 144.32 166.93 11.7 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 104.89 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 52.4 p -90.87 114.6 27.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.97 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.07 162.88 20.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.961 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 63.51 122.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.022 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 t -154.13 153.78 32.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.15 119.29 3.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -169.8 143.38 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.975 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 t -95.17 -61.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.35 152.43 28.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.36 -130.45 5.22 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -140.86 138.93 34.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 113' ' ' ILE . 44.6 tp -118.35 153.68 33.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.1 m -111.51 109.3 19.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.957 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.5 mt -120.32 121.83 66.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -100.1 114.96 28.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 18.0 mt -107.23 151.57 25.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.0 t-105 -158.52 152.18 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 108.014 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -114.39 131.79 56.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.66 94.01 4.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -21.97 63.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.7 t -51.94 -68.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.89 5.2 53.4 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.5 m170 62.1 64.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.633 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.405 ' CB ' HG23 ' A' ' 78' ' ' ILE . 1.0 OUTLIER -132.21 148.12 52.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.9 tp -98.89 119.82 38.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.5 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.4 mp -94.72 130.51 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.465 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -141.6 101.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 75' ' ' GLN . 1.3 m -96.43 121.18 37.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.422 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.606 ' CG2' ' CE3' ' A' ' 73' ' ' TRP . 49.5 mm -85.28 89.37 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 11.1 mt -54.91 -98.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.576 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -159.8 172.41 36.35 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.438 ' CB ' HD11 ' A' ' 10' ' ' LEU . . . -110.45 170.7 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.85 171.1 21.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' LYS . 88.2 m-20 39.85 43.54 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -76.73 144.74 73.6 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.452 ' O ' ' NH1' ' A' ' 42' ' ' ARG . 18.2 Cg_endo -75.03 95.13 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 34' ' ' PRO . 2.9 t -54.15 -169.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.22 173.87 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -54.6 -177.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.67 -61.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.46 -26.29 3.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.03 154.93 66.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 110.248 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.52 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.469 ' CD ' ' HB2' ' A' ' 98' ' ' ASP . 1.3 ptt-85 -148.96 -172.06 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 66' ' ' LYS . 3.2 m-20 -114.62 87.28 14.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -74.96 156.67 43.17 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 5.1 p90 -167.63 134.2 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.469 HG23 ' CH2' ' A' ' 73' ' ' TRP . 22.6 t -91.85 155.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.18 109.91 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.482 HD13 ' CG1' ' A' ' 27' ' ' ILE . 3.5 mt -91.4 150.09 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.473 ' CZ ' ' HG3' ' A' ' 59' ' ' LYS . 1.5 m-85 -155.36 97.92 1.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.631 ' CE2' ' HG2' ' A' ' 90' ' ' ARG . 23.1 t80 -64.3 120.96 13.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 56.1 mt -97.34 150.95 37.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.98 -166.82 5.15 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.004 -0.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.55 141.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 54' ' ' ARG . 11.2 mtp-105 -148.27 95.1 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.52 177.34 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -48.01 -25.5 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -54.69 -57.38 11.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -128.31 53.86 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 0.4 OUTLIER -121.77 133.38 54.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.558 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 25.7 mmt180 -133.97 128.85 35.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -139.37 136.88 35.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.7 p -82.18 165.31 20.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -58.84 145.22 41.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.8 m -80.58 110.66 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.445 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.466 ' CG1' HG23 ' A' ' 68' ' ' THR . 1.9 t -72.27 156.19 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HD3' ' ND2' ' A' ' 43' ' ' ASN . 12.7 mmtt -118.07 127.48 53.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 66' ' ' LYS . 13.4 mttt 41.51 91.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.55 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -179.42 108.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.162 . . . . 0.0 110.374 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -69.5 -22.54 63.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.409 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.6 mt-10 -122.56 87.58 49.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.567 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.98 152.09 40.44 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -136.3 94.3 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.606 ' CE3' ' CG2' ' A' ' 27' ' ' ILE . 2.5 m-90 -90.5 -41.36 11.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 108.035 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.4 OUTLIER 39.36 34.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.509 ' O ' ' CG2' ' A' ' 26' ' ' THR . 1.7 mm100 -83.85 -179.07 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.4 m -129.51 144.61 51.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.558 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 46.7 m-85 -143.15 113.62 7.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.405 HG23 ' CB ' ' A' ' 22' ' ' GLN . 32.4 mt -98.55 128.98 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.512 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.4 m-85 -120.35 111.33 17.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.5 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -146.22 162.09 36.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.044 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.5 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.2 Cg_endo -75.0 141.09 70.74 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.999 0.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 16.0 t -133.4 117.7 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -101.62 157.08 17.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.602 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -66.18 -39.61 89.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -28.3 66.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.46 -38.34 86.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -38.12 -53.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -46.51 -49.96 17.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.19 48.16 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.355 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.631 ' HG2' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -169.89 141.29 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.487 ' CE ' ' HG2' ' A' ' 116' ' ' GLU . 2.3 ttm -148.04 146.32 28.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.584 HD22 ' CE1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -93.1 154.02 18.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.511 ' HG3' ' CD1' ' A' ' 114' ' ' LEU . 15.6 tt0 -138.6 91.82 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.1 mp -88.17 140.33 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -131.23 146.33 52.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.393 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 34.1 tp -127.79 132.99 49.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -142.13 -169.75 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 107.955 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.469 ' HB2' ' CD ' ' A' ' 42' ' ' ARG . 3.0 t0 -139.74 120.15 13.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 95.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.26 -76.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.95 -178.93 7.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.8 t -105.25 -80.84 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.96 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -69.89 -179.77 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.25 -76.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 45.15 43.95 8.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.3 m -103.83 156.97 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -105.41 126.98 52.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.526 ' CE2' ' HA2' ' A' ' 111' ' ' GLY . 82.6 t80 -74.22 91.43 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.429 HD22 ' CZ ' ' A' ' 42' ' ' ARG . 21.4 mt -58.61 -29.79 66.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 109' ' ' PHE . . . 138.39 150.68 5.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.459 ' HB2' ' CG2' ' A' ' 95' ' ' THR . 0.9 OUTLIER -109.14 158.9 17.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 82.9 mt -127.43 102.25 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.511 ' CD1' ' HG3' ' A' ' 93' ' ' GLU . 2.4 mp -93.0 146.37 23.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 114' ' ' LEU . 2.1 mp -143.09 129.19 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.487 ' HG2' ' CE ' ' A' ' 91' ' ' MET . 38.6 mt-10 -85.3 107.3 17.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.45 ' HA ' ' CB ' ' A' ' 120' ' ' ALA . 9.5 mt -43.53 -31.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.03 -45.6 92.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 116' ' ' GLU . 73.9 p -111.01 21.57 16.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.45 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -76.0 101.92 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.566 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 4.0 pp -63.53 95.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 1.6 mt -100.21 114.29 27.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -159.46 28.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 49.1 t0 47.57 43.24 15.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 3.9 mt-10 -121.35 132.86 24.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.485 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.98 123.92 8.25 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.77 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -126.15 144.55 50.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 109.585 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.586 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 97.8 m95 -94.41 106.01 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 127' ' ' HIS . 29.0 m-85 -99.58 118.98 37.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 147.63 42.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.404 ' CD2' ' O ' ' A' ' 111' ' ' GLY . 1.1 mt -90.0 153.72 20.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -107.71 142.29 37.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 41.0 p -139.76 84.95 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.44 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.15 -69.79 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.73 132.44 11.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -57.73 6.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -51.87 163.39 1.52 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 178.44 7.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.62 99.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 75.4 p -147.75 155.65 41.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.11 154.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 0.796 . . . . 0.0 109.991 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 t -179.54 148.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.93 -171.3 16.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -157.2 68.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.74 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -170.66 83.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.945 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.93 149.58 44.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.455 1.097 . . . . 0.0 111.057 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.13 -131.04 4.72 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -142.27 135.28 28.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 113' ' ' ILE . 0.2 OUTLIER -115.03 136.0 53.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.586 ' HB2' ' CH2' ' A' ' 128' ' ' TRP . 1.7 t -100.87 126.62 47.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 11' ' ' SER . 8.4 mt -141.74 148.78 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HG3' ' CD ' ' A' ' 126' ' ' PRO . 0.5 OUTLIER -124.27 114.28 19.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' HB3' ' CD2' ' A' ' 122' ' ' LEU . 0.3 OUTLIER -109.46 157.4 19.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -158.53 148.86 19.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 107.991 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -114.22 130.35 56.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.34 83.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -19.36 57.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.46 -69.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.43 7.61 78.17 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 52.18 48.25 23.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.54 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.73 142.29 51.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' CD2' HD13 ' A' ' 117' ' ' LEU . 15.0 tp -95.45 115.91 28.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.499 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.4 mp -88.57 137.46 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -152.22 128.76 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.479 HG23 ' CD1' ' A' ' 28' ' ' LEU . 1.3 m -125.92 126.99 45.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.574 HG21 ' CE3' ' A' ' 73' ' ' TRP . 44.7 mm -87.25 87.09 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.533 ' CD1' ' N ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -50.71 -99.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.59 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.33 165.86 35.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.7 168.93 9.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.588 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.01 160.09 39.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 58.9 45.34 15.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.1 mt -87.02 150.47 49.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 120.61 6.13 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.556 1.819 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.4 t -80.36 -159.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.944 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -134.23 48.02 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 56.37 170.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t0 41.75 31.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.34 57.1 14.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -105.61 108.46 61.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.7 -171.38 3.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -117.17 81.25 12.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 165.37 31.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.791 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 28.5 p90 -168.93 123.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.71 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 6.3 t -74.88 161.07 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.401 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -146.38 111.31 5.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.354 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.457 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.1 mt -94.06 150.71 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.401 ' CE2' ' HD2' ' A' ' 47' ' ' LYS . 2.4 m-85 -154.38 103.79 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.452 ' CE2' ' HD3' ' A' ' 90' ' ' ARG . 37.0 t80 -73.63 94.82 2.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.484 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -68.28 156.81 89.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -74.94 -171.96 10.08 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 121.035 -2.486 . . . . 0.0 110.992 -0.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 62.9 149.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -139.31 39.86 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.68 176.73 6.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.984 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -51.64 -37.75 51.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.1 -41.6 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -127.87 52.02 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -117.69 118.75 32.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.568 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -136.69 115.81 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 62' ' ' THR . 6.5 ttm180 -129.0 140.71 51.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.407 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 75.0 p -83.32 168.48 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.3 141.83 57.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.3 m -80.4 113.04 18.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG1' HG22 ' A' ' 68' ' ' THR . 2.1 t -71.76 153.93 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 67' ' ' LYS . 17.0 mmtt -115.05 117.2 29.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 66' ' ' LYS . 47.7 mttt 47.99 97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.481 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.8 OUTLIER -176.12 114.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.393 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.19 -23.49 62.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.437 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 3.2 mt-10 -128.28 92.47 41.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.509 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.2 Cg_endo -75.04 158.57 41.96 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -144.47 99.4 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.71 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 2.3 m-90 -98.69 -49.09 4.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 107.968 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER 40.27 38.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.452 ' O ' ' CG2' ' A' ' 26' ' ' THR . 3.3 mm100 -80.95 172.53 13.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.6 m -110.39 142.1 42.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 53.0 m-85 -149.55 113.78 5.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.5 mt -103.9 145.86 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.532 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 10.3 m-85 -136.06 112.15 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.35 160.72 41.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.971 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -75.03 141.77 72.72 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.987 0.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 14.2 t -133.38 127.25 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -113.61 167.31 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.595 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.434 ' HD2' ' CE2' ' A' ' 87' ' ' PHE . 5.9 tpt180 -80.01 -15.36 57.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.17 -3.01 48.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.3 mm-40 -100.16 -6.95 25.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.497 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 7.6 m-30 -61.32 -49.55 76.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -67.38 -8.53 33.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -112.77 -10.15 13.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.452 ' HD3' ' CE2' ' A' ' 50' ' ' PHE . 52.8 mtt180 -138.44 128.52 25.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.475 ' HE2' ' CD1' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -128.34 150.7 49.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.446 ' CD2' HD22 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -96.18 144.25 26.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.444 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 9.3 tt0 -131.87 98.29 4.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.427 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 2.9 mp -97.73 129.89 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -130.66 138.13 49.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 46' ' ' VAL . 28.7 tp -108.46 129.68 55.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.576 ' CE3' ' HB2' ' A' ' 109' ' ' PHE . 4.6 m95 -128.28 174.53 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 0.5 OUTLIER -135.67 116.3 13.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.57 89.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.55 -78.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.62 179.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 55.1 t -99.19 -71.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.5 mtt85 -64.51 -76.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -48.49 174.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -80.42 -66.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 45.33 78.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.4 p -90.44 122.11 33.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 108' ' ' GLU . 2.2 tt0 -88.78 -25.27 22.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.576 ' HB2' ' CE3' ' A' ' 97' ' ' TRP . 93.4 t80 58.93 112.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.7 mt -86.27 -25.24 25.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.14 -178.0 36.37 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.434 ' HB2' ' CG2' ' A' ' 95' ' ' THR . 1.2 pt-20 -139.32 143.6 37.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 40.6 mt -126.37 117.29 48.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.475 ' CD1' ' HE2' ' A' ' 91' ' ' MET . 0.1 OUTLIER -104.86 135.39 46.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 5.2 mt -133.98 128.1 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 119' ' ' THR . 9.3 mt-10 -97.19 108.46 21.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.497 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 18.4 mt -45.71 -27.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -58.28 -39.45 79.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 116' ' ' GLU . 71.9 p -125.29 30.75 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.435 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -83.83 109.64 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.592 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 4.0 pp -68.45 97.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.494 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 1.5 mt -104.89 125.06 50.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 125' ' ' GLU . 6.5 t0 179.72 44.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 124' ' ' ASP . 26.2 t0 47.62 24.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 123' ' ' ASP . 14.7 mt-10 -111.6 102.7 53.94 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.546 ' CD ' ' HG3' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.01 135.59 19.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -126.4 150.57 48.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.588 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 84.6 m95 -86.91 107.27 18.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -90.83 135.78 33.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -71.46 141.28 50.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.98 154.69 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -121.28 114.23 21.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 3.7 p -119.01 11.55 12.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.23 82.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.58 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -123.03 137.98 54.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.13 154.16 43.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 177.72 170.41 39.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.65 135.96 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.977 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 t 60.61 167.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.44 128.04 53.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 0.723 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.57 134.35 3.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.35 109.89 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.2 p -128.39 164.97 21.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 0.747 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -161.6 -51.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.1 146.72 9.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.63 -124.37 1.74 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -137.55 130.52 30.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -114.27 136.77 52.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.495 ' OG ' ' CE2' ' A' ' 128' ' ' TRP . 67.2 m -99.88 115.98 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.8 mt -132.07 129.56 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -105.02 113.89 27.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.473 ' CD1' HG21 ' A' ' 115' ' ' ILE . 65.4 mt -105.04 151.12 24.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.461 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 6.4 t-105 -159.03 148.53 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 107.97 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CD1' ' CZ ' ' A' ' 87' ' ' PHE . 63.5 t80 -111.08 138.27 47.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.478 ' CG ' HG23 ' A' ' 19' ' ' VAL . 18.5 t70 -113.52 108.69 17.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.88 -26.79 19.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.478 HG23 ' CG ' ' A' ' 17' ' ' ASP . 27.0 m -55.83 -60.57 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.474 ' N ' ' OD2' ' A' ' 17' ' ' ASP . . . -97.84 2.85 60.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.115 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 80' ' ' SER . 56.9 m-70 58.96 63.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.767 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -138.8 159.98 40.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 82' ' ' VAL . 6.1 tp -110.09 122.12 46.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.507 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.4 mp -93.89 148.03 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.461 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -162.46 103.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 75' ' ' GLN . 1.1 m -101.29 128.79 47.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.536 HG22 ' CE3' ' A' ' 73' ' ' TRP . 48.6 mm -92.67 93.7 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 12.6 mt -57.02 -99.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.563 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.6 168.84 34.92 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.63 162.24 13.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.571 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -149.63 164.3 35.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 50.54 55.6 9.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 mp -93.34 157.94 37.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.439 ' O ' ' NH2' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -74.96 121.11 6.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.484 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 28.2 t -113.1 169.53 8.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.9 127.91 53.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -46.73 -74.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -110.26 30.86 6.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 40' ' ' ARG . . . -121.6 31.52 4.99 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.438 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER 51.3 174.21 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 110.285 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -74.99 -94.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.441 1.759 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.506 ' CB ' ' O ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER 157.72 179.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -120.46 84.63 36.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.55 42.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.591 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 2.2 p90 -173.05 122.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.575 HG21 ' CZ3' ' A' ' 73' ' ' TRP . 16.8 t -73.77 161.01 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -149.96 110.89 4.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.4 mt -91.35 157.09 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.505 ' CD1' ' HA ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -155.2 98.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -68.98 88.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.496 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -51.89 157.02 2.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.06 -19.81 17.25 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.956 0.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' OD2' ' ND2' ' A' ' 58' ' ' ASN . 7.2 m-20 -46.38 112.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 8.1 ttm180 -149.79 71.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.23 -44.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.455 ' HA ' ' CB ' ' A' ' 59' ' ' LYS . 9.5 t70 -173.61 -39.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 56' ' ' ASP . 2.1 mttt -37.98 -62.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.4 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 4.6 m-80 -111.34 49.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' CB ' ' HA ' ' A' ' 56' ' ' ASP . 30.3 ttpt -100.13 88.14 3.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.542 ' HD2' ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -122.94 115.49 22.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.97 162.5 24.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.576 ' HB ' ' CD1' ' A' ' 73' ' ' TRP . 39.1 p -81.77 166.1 20.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.95 148.27 35.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.8 m -80.71 112.05 17.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.481 ' CG1' HG23 ' A' ' 68' ' ' THR . 0.7 OUTLIER -81.91 142.07 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 67' ' ' LYS . 14.7 mmtt -106.03 130.3 53.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER 43.41 93.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.481 HG23 ' CG1' ' A' ' 65' ' ' VAL . 1.3 t -175.88 119.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.444 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 35' ' ' SER . 55.2 mt -81.44 -19.79 41.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.435 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.8 mt-10 -129.87 85.55 57.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.571 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.2 Cg_endo -74.95 141.23 26.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -124.79 98.66 5.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.576 ' CD1' ' HB ' ' A' ' 62' ' ' THR . 3.6 m-90 -92.06 -43.94 9.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 107.98 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 1.1 m-80 38.71 39.09 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.498 ' O ' ' CG2' ' A' ' 26' ' ' THR . 1.3 mm100 -85.85 -175.19 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 m -133.94 135.7 43.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.542 ' CE1' ' HD2' ' A' ' 60' ' ' ARG . 47.5 m-85 -138.01 119.22 14.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.47 ' CG1' HG13 ' A' ' 24' ' ' ILE . 5.8 mt -110.74 139.31 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.516 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 84.8 m-85 -129.08 119.89 24.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.499 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -145.65 161.57 40.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.499 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.1 Cg_endo -75.05 143.28 77.26 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.959 0.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 19.5 t -135.59 118.72 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -105.65 159.99 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.598 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 tpt85 -73.56 -19.68 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -9.32 49.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -93.55 -11.2 32.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.524 ' CZ ' ' CD1' ' A' ' 16' ' ' PHE . 2.6 m-30 -55.16 -39.16 69.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -83.54 0.94 44.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -105.01 -20.4 13.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -145.38 148.31 33.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.406 ' CE ' ' HG2' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -131.42 153.53 49.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.468 ' CD2' HD22 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -93.65 147.55 22.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.452 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 14.9 tt0 -136.53 102.02 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.494 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 2.2 mp -98.8 140.35 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.476 HG21 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -143.2 144.15 32.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 110.364 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.436 ' CD1' HG23 ' A' ' 46' ' ' VAL . 16.7 tp -107.64 134.76 50.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.58 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 1.1 m95 -138.04 162.88 32.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -124.44 98.48 5.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.45 108.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -128.18 -178.25 4.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.454 ' CB ' ' HB2' ' A' ' 106' ' ' GLU . 0.0 OUTLIER 58.95 155.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.417 HG21 ' N ' ' A' ' 103' ' ' ARG . 2.5 p -67.49 142.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.417 ' N ' HG21 ' A' ' 102' ' ' VAL . 0.1 OUTLIER 58.64 172.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -68.95 99.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 176.4 163.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.454 ' HB2' ' CB ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER 61.48 109.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 p -119.07 126.29 51.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 109' ' ' PHE . 13.1 pt-20 -80.62 -23.81 39.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 108' ' ' GLU . 48.4 t80 55.95 111.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 28.6 mt -79.12 -51.72 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -171.84 -175.51 40.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.476 ' CB ' HG21 ' A' ' 95' ' ' THR . 2.3 pt-20 -140.85 137.77 33.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 59.0 mt -126.47 114.99 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.452 ' CD2' ' HG3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -101.94 135.0 44.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.473 HG21 ' CD1' ' A' ' 14' ' ' LEU . 3.9 mt -136.72 117.51 17.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.406 ' HG2' ' CE ' ' A' ' 91' ' ' MET . 29.9 mt-10 -86.83 111.51 20.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.489 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 24.5 mt -44.22 -34.17 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -53.93 -52.71 59.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.8 p -111.2 28.14 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -78.91 108.95 12.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.591 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 4.0 pp -63.71 95.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 15' ' ' TRP . 1.2 mt -103.84 120.83 41.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -170.12 34.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.461 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 35.0 t0 41.75 37.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -114.61 128.21 26.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.468 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.99 123.25 7.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -125.45 150.15 47.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.638 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 91.8 m95 -97.95 105.03 17.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -95.02 120.96 36.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -60.45 143.59 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.1 mt -89.86 144.24 26.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -118.95 119.33 34.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 18.0 p -107.8 93.3 4.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 110.397 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -174.56 103.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.566 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.09 130.81 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.29 151.63 28.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -123.12 170.23 15.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.94 3.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.451 1.763 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.31 84.06 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.79 100.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -168.22 151.24 5.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 p -175.62 152.99 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.16 164.28 23.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -176.77 163.93 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.992 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p -94.61 171.39 8.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.473 ' CA ' ' HB2' ' A' ' 131' ' ' LEU . . . -92.57 144.55 17.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.54 -133.64 8.1 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -145.79 128.87 16.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.486 ' HB3' ' CD1' ' A' ' 113' ' ' ILE . 0.2 OUTLIER -120.15 137.03 54.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.609 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 68.5 m -100.73 107.87 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.8 mt -120.9 123.84 71.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG3' ' CA ' ' A' ' 126' ' ' PRO . 3.6 ttmt -100.87 114.37 28.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 18.5 mt -105.19 154.85 19.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -158.44 147.14 18.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.42 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 28.9 t80 -112.97 115.33 28.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -91.62 79.81 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -17.63 30.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.3 t -55.15 -65.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.24 5.51 45.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.4 m170 64.15 57.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.59 136.6 52.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.8 tp -88.74 119.58 29.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.425 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.6 mp -95.31 141.85 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.468 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -153.89 105.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.36 118.97 38.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.582 HG23 ' CE3' ' A' ' 73' ' ' TRP . 49.5 mm -81.34 95.94 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 11.6 mt -61.6 -97.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.574 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.43 164.71 33.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.51 162.01 13.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -154.16 163.56 39.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 59.21 46.04 13.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 mt -92.32 145.49 30.75 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.468 ' HG2' ' CD2' ' A' ' 110' ' ' LEU . 18.3 Cg_endo -75.01 108.15 2.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.421 1.748 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.447 ' N ' HH21 ' A' ' 42' ' ' ARG . 17.0 t -64.02 175.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -139.65 -177.12 4.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.578 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 2.8 mt-10 62.31 -79.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.578 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER 148.79 -20.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.68 -47.1 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.433 1.083 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -89.28 141.35 29.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.481 ' HG2' ' CB ' ' A' ' 67' ' ' LYS . 18.3 Cg_endo -75.0 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.47 1.774 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.492 ' CZ ' HD21 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -127.17 -176.88 3.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -116.51 86.38 18.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 160.8 39.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 4.9 p90 -169.12 142.43 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.611 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 13.1 t -99.05 153.86 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -141.76 106.21 4.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.476 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.1 mt -91.74 152.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.558 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 2.2 m-85 -154.85 98.58 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.427 ' CD1' ' CD2' ' A' ' 92' ' ' LEU . 53.6 t80 -65.27 99.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.474 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 4.3 mp -68.95 160.69 77.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -75.0 -9.16 23.93 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.034 -0.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.66 136.36 10.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -163.74 58.67 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.17 72.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.25 -171.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.54 -73.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -98.99 33.64 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.558 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 6.7 ttmt -102.8 107.4 18.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.401 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 35.2 mmt180 -113.73 125.56 54.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 62' ' ' THR . 51.8 ttp180 -138.59 143.87 39.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.374 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.415 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 74.3 p -88.22 161.31 17.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.19 143.54 43.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.3 m -80.04 110.86 15.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 110.427 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.1 t -78.84 142.46 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -117.42 127.5 54.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.481 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 2.0 mtpt 58.9 83.55 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.524 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -179.7 111.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.412 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.492 HD21 ' CZ ' ' A' ' 42' ' ' ARG . 14.3 mt -72.97 -19.73 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.432 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 5.6 mt-10 -129.84 89.99 44.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.343 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.587 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.99 151.02 39.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.793 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -135.42 93.97 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.611 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 3.4 m-90 -87.98 -40.36 13.95 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.477 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER 38.97 33.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 73' ' ' TRP . 0.8 OUTLIER -82.83 177.6 8.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 110.341 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.423 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 1.2 m -127.16 148.63 50.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.423 ' CD1' ' O ' ' A' ' 76' ' ' THR . 38.1 m-85 -149.12 125.2 10.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.5 mt -110.91 144.41 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.518 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 11.5 m-85 -136.19 111.68 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.483 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.15 161.08 40.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.483 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.1 Cg_endo -75.07 141.43 71.67 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.96 0.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 17.5 t -134.13 115.42 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 83' ' ' HIS . 0.9 OUTLIER -96.49 159.76 14.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 109.605 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 9.1 tpt180 -69.82 -33.87 72.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -17.95 54.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.34 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' ARG . 2.9 mm-40 -78.49 -15.14 58.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.408 ' CG ' ' HB3' ' A' ' 117' ' ' LEU . 6.9 m-30 -54.99 -50.82 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -65.39 -13.91 59.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -108.38 -4.06 17.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -142.91 120.6 11.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.4 ' SD ' HD22 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -120.98 148.54 43.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.427 ' CD2' ' CD1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -92.44 145.19 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.504 ' HG3' ' CD1' ' A' ' 114' ' ' LEU . 10.6 tt0 -131.71 91.99 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.1 149.14 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' A' ' 112' ' ' GLU . 1.3 p -141.34 145.5 35.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.423 ' CD1' HG22 ' A' ' 46' ' ' VAL . 28.9 tp -128.96 131.1 47.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.575 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -143.12 168.64 19.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 108.023 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' CG ' ' HB2' ' A' ' 42' ' ' ARG . 1.8 t0 -119.34 105.59 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.28 96.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 102' ' ' VAL . . . -118.0 170.27 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.52 ' O ' ' CG2' ' A' ' 102' ' ' VAL . 0.6 OUTLIER 66.53 -59.6 0.35 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' A' ' 101' ' ' ARG . 1.0 OUTLIER 63.49 155.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.8 mtt180 64.33 22.67 12.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -166.81 -171.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.88 79.84 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.7 122.79 27.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.5 p -137.61 140.98 41.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.975 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 109' ' ' PHE . 15.0 pt-20 -98.42 -2.83 38.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 108' ' ' GLU . 64.8 t80 36.35 93.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.468 ' CD2' ' HG2' ' A' ' 34' ' ' PRO . 72.7 mt -69.41 -14.91 63.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.32 154.66 7.9 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.487 ' HB2' ' CG2' ' A' ' 95' ' ' THR . 1.1 pt-20 -111.15 147.66 34.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 71.9 mt -119.06 101.75 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.504 ' CD1' ' HG3' ' A' ' 93' ' ' GLU . 1.4 mp -93.47 145.18 24.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.1 mp -142.05 122.88 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 119' ' ' THR . 38.5 mt-10 -84.26 104.84 14.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.465 ' HA ' ' CB ' ' A' ' 120' ' ' ALA . 16.6 mt -40.22 -32.63 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.02 -50.28 69.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 116' ' ' GLU . 76.1 p -110.86 28.37 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -83.37 106.02 14.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -67.91 89.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -91.61 128.95 37.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -179.07 38.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.1 t70 41.17 38.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -110.6 121.05 42.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.491 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.93 122.1 7.02 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -126.36 156.54 40.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.564 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.609 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 98.9 m95 -102.23 107.48 18.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 107.993 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -99.62 107.2 19.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.82 148.96 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.68 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -85.31 161.08 19.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -128.21 112.74 14.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 35.3 p -109.59 -15.57 14.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.63 81.14 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.603 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.13 123.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.43 -52.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 130.11 174.63 13.75 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 71.27 5.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.564 1.823 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.4 t -106.94 -56.35 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.04 -56.44 5.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.955 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t 53.05 87.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -141.37 169.68 17.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.12 176.62 2.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.572 1.17 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -176.21 98.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 0.747 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -169.27 152.01 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.003 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 131' ' ' LEU . . . -108.81 144.4 16.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.82 -131.04 7.12 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -147.16 126.34 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.275 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.46 ' CD1' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -113.78 137.21 51.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.593 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 72.3 m -99.58 110.85 23.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.424 HG12 ' CD1' ' A' ' 27' ' ' ILE . 5.6 mt -122.37 121.86 64.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' CE ' HD23 ' A' ' 28' ' ' LEU . 5.0 ttmt -100.83 114.88 29.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.477 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 9.2 mt -107.6 153.33 23.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.422 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 6.0 t-105 -158.2 132.52 8.12 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.413 ' HB2' ' HG ' ' A' ' 122' ' ' LEU . 40.8 t80 -97.87 118.33 34.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.01 77.92 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -17.94 18.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.4 t -57.84 -68.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.75 3.38 65.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 63.82 49.3 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 0.78 . . . . 0.0 109.607 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.31 142.73 50.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.471 ' HB2' ' CG1' ' A' ' 82' ' ' VAL . 32.0 tp -95.91 118.02 31.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.45 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.6 mp -92.89 131.01 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.477 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -143.55 106.79 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -104.4 125.39 50.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.572 HG22 ' CE3' ' A' ' 73' ' ' TRP . 42.8 mm -87.47 88.16 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 10.1 mt -51.45 -99.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 71' ' ' PRO . . . -157.49 162.17 31.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.1 160.42 14.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -153.92 165.93 34.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 46.86 44.65 14.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.417 ' HB3' ' NH2' ' A' ' 42' ' ' ARG . 1.4 mp -74.12 161.1 79.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.55 18.69 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.489 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 9.6 t 53.32 177.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 37' ' ' GLU . 1.1 mtm180 -132.1 48.37 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.566 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 2.0 mm-40 -46.42 174.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.566 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.3 t0 87.21 9.9 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 40' ' ' ARG . . . 154.89 84.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.498 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 5.8 mmt180 54.9 162.49 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 18.4 Cg_endo -74.97 -92.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 41' ' ' PRO . 0.9 OUTLIER 157.45 -174.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 6.2 m-20 -121.18 93.69 48.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.469 ' HG3' ' NH1' ' A' ' 42' ' ' ARG . 18.1 Cg_endo -75.01 167.37 27.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.584 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 9.7 p90 -178.26 122.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.574 HG22 ' CH2' ' A' ' 73' ' ' TRP . 21.4 t -73.62 161.35 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -150.13 112.19 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.468 HD12 ' CG1' ' A' ' 27' ' ' ILE . 1.8 mt -91.42 153.32 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.584 ' CE1' ' C ' ' A' ' 54' ' ' ARG . 0.6 OUTLIER -154.85 97.72 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' HB3' ' CB ' ' A' ' 58' ' ' ASN . 16.0 t80 -65.45 105.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.512 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 77.8 mt -78.19 151.87 78.73 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -74.95 -171.14 8.96 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.97 -2.513 . . . . 0.0 110.995 -0.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.82 96.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.584 ' C ' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -106.23 41.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 110.266 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.2 p -157.97 113.26 2.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 60.72 175.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 76.78 -79.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.455 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 14.7 p30 -102.49 21.72 14.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -85.57 101.44 12.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.258 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.56 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -141.7 125.98 17.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 159.46 29.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 47.6 p -81.19 172.97 12.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -58.36 154.95 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.0 m -92.59 114.31 26.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -90.98 137.28 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 67' ' ' LYS . 11.1 mmtt -101.4 134.25 44.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.477 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 4.3 mtpm? 41.77 92.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.7 OUTLIER -177.84 113.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.432 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.507 ' N ' HD13 ' A' ' 69' ' ' LEU . 2.2 mp -79.02 -17.79 54.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -125.94 80.27 67.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.627 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.1 Cg_endo -75.01 142.96 28.46 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -128.32 96.04 4.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.627 ' CH2' ' HG2' ' A' ' 71' ' ' PRO . 3.8 m-90 -89.0 -41.37 12.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.472 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 40.39 35.09 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.513 ' O ' ' CG2' ' A' ' 26' ' ' THR . 1.9 mt-30 -83.21 -174.95 5.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.1 m -132.59 146.68 52.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 59.2 m-85 -149.65 113.06 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.8 mt -98.23 144.24 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.511 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 10.4 m-85 -135.57 112.6 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.471 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.35 160.26 42.75 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.976 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.471 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.5 Cg_endo -74.99 143.38 77.64 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.027 -0.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 24.1 t -136.39 106.15 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -93.97 165.67 12.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.64 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.5 tpt85 -73.81 -16.61 61.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.36 -12.43 27.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.3 mm-40 -86.35 -13.47 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 4.5 m-30 -57.84 -49.2 77.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.426 ' CB ' ' OE1' ' A' ' 118' ' ' GLU . 26.9 ptt180 -74.8 -4.49 38.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -106.58 -17.9 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.7 mpt_? -142.11 131.01 22.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.441 ' HE1' ' N ' ' A' ' 116' ' ' GLU . 0.8 OUTLIER -119.2 155.51 31.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.459 HD12 ' CD2' ' A' ' 23' ' ' LEU . 6.6 mt -92.94 148.54 21.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -134.17 92.11 2.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.457 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 2.3 mp -95.9 140.25 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.492 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -143.72 150.31 38.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.378 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.464 ' CD1' HG21 ' A' ' 46' ' ' VAL . 16.2 tp -114.91 131.57 56.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.584 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -136.01 170.83 15.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 1.2 t0 -127.92 114.99 17.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.49 102.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -99.37 -71.59 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -69.88 168.43 15.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.2 m -94.57 -44.22 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -123.94 -54.0 1.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.0 161.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.26 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -103.17 98.01 8.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -149.39 85.59 1.45 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -96.69 116.64 29.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.429 ' OE2' ' CD2' ' A' ' 110' ' ' LEU . 20.7 pt-20 -60.02 -21.64 61.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.466 ' CD1' ' CZ3' ' A' ' 97' ' ' TRP . 52.0 t80 52.8 105.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.429 ' CD2' ' OE2' ' A' ' 108' ' ' GLU . 85.4 mt -75.97 -44.0 41.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.75 176.99 47.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.492 ' CB ' HG22 ' A' ' 95' ' ' THR . 1.0 OUTLIER -132.46 136.0 46.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 0.8 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.9 mt -120.92 103.42 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.86 136.14 37.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.7 mt -137.17 120.55 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.441 ' N ' ' HE1' ' A' ' 91' ' ' MET . 53.1 mt-10 -81.33 112.0 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.605 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 11.4 mt -44.88 -31.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.426 ' OE1' ' CB ' ' A' ' 88' ' ' ARG . 16.0 tt0 -57.68 -53.58 56.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 72.5 p -104.1 27.07 8.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.81 170.35 13.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.457 ' C ' ' CD1' ' A' ' 122' ' ' LEU . 5.8 mt -125.39 113.96 18.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.457 ' CD1' ' C ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -123.99 103.2 8.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -161.59 28.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.422 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 6.5 t0 49.18 41.97 20.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -120.15 126.14 26.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.478 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.95 125.79 9.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.547 1.814 . . . . 0.0 111.05 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -124.83 140.74 52.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.622 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.593 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 98.0 m95 -93.65 110.54 22.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -102.7 111.39 23.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.29 150.61 17.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.681 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -91.16 150.53 21.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 16.2 pt20 -128.82 113.4 15.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 35.8 p -94.72 -54.01 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 96.93 7.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.158 . . . . 0.0 109.618 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -93.33 -52.82 4.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 42.76 89.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -120.92 175.01 15.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.18 3.73 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.08 165.0 6.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.3 t -113.15 126.11 55.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.49 142.84 3.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.42 155.87 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.059 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.49 142.09 3.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.5 p -161.87 167.91 23.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.753 . . . . 0.0 110.013 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.7 p -54.35 -172.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.4 160.62 29.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.62 -117.02 3.76 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -141.95 151.76 42.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.0 tp -131.94 138.61 48.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.471 ' OG ' ' CH2' ' A' ' 128' ' ' TRP . 66.7 m -98.51 115.32 28.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.4 mt -126.81 122.78 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -100.31 114.04 27.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' HB3' ' CD2' ' A' ' 122' ' ' LEU . 65.2 mt -103.01 147.84 26.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.605 ' CE3' ' CG ' ' A' ' 124' ' ' ASP . 5.4 t-105 -158.72 135.82 9.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 107.982 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.406 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 65.3 t80 -100.87 137.91 38.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.507 ' CG ' HG21 ' A' ' 19' ' ' VAL . 26.0 t70 -112.66 109.09 18.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.4 -27.02 16.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.507 HG21 ' CG ' ' A' ' 17' ' ' ASP . 12.2 m -48.56 -64.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.454 ' H ' ' CG2' ' A' ' 19' ' ' VAL . . . -100.91 0.22 55.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' A' ' 80' ' ' SER . 34.8 m170 67.7 71.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 109.585 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 17' ' ' ASP . 1.0 OUTLIER -144.61 163.51 33.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.8 tp -117.0 117.87 30.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.55 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.3 mp -89.24 127.18 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -130.44 104.26 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -106.0 126.2 51.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.379 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.567 HG21 ' CE3' ' A' ' 73' ' ' TRP . 35.2 mm -98.34 91.76 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 10.9 mt -54.92 -100.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.559 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.07 166.12 35.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.18 174.39 5.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -159.86 171.78 18.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.35 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LYS . 26.0 m-20 40.53 44.8 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -79.04 142.8 60.28 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.447 ' O ' ' NH2' ' A' ' 42' ' ' ARG . 18.5 Cg_endo -74.97 91.64 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.78 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.43 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 4.8 t -62.23 -168.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -106.58 -172.79 2.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.1 mt-10 -43.97 169.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.93 62.86 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' GLU . . . -135.32 -92.67 0.4 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.69 157.48 76.47 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -161.68 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 34' ' ' PRO . 6.0 ptt85 -135.48 -173.07 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -113.82 91.69 22.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HG2' ' HG3' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -75.01 156.36 42.95 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.564 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.7 p90 -168.68 131.97 1.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.531 HG23 ' CH2' ' A' ' 73' ' ' TRP . 17.2 t -86.02 161.51 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CD ' ' CE2' ' A' ' 49' ' ' TYR . 1.3 ttmm -148.67 112.17 5.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.232 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.417 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.6 mt -91.9 149.04 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.549 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 0.9 OUTLIER -152.81 99.85 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 90' ' ' ARG . 14.9 t80 -65.0 89.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.514 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 46.7 mt -59.25 152.79 51.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.04 -21.2 15.65 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.959 -2.517 . . . . 0.0 110.979 0.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 54' ' ' ARG . 0.5 OUTLIER -40.51 137.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 19.3 mtm180 -170.1 90.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.14 -74.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' LYS . 2.2 t0 -158.63 -45.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -40.06 -57.22 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.462 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 39.1 m-80 -113.02 55.7 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.549 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 6.1 ttmt -116.8 84.23 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.569 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 31.8 mmt180 -88.45 119.07 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.96 138.66 45.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 73.7 p -83.12 169.08 16.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.35 145.77 55.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.2 m -81.09 117.09 21.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.48 ' CG1' HG21 ' A' ' 68' ' ' THR . 0.4 OUTLIER -87.06 143.07 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -107.69 136.59 47.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt 40.72 87.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.528 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -178.72 110.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.43 ' CD1' ' HB2' ' A' ' 35' ' ' SER . 63.3 mt -77.71 -16.96 58.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.428 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 4.4 mt-10 -124.26 80.25 59.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 73' ' ' TRP . 18.0 Cg_endo -75.0 146.88 33.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -130.41 94.02 3.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.567 ' CE3' HG21 ' A' ' 27' ' ' ILE . 3.0 m-90 -87.89 -42.7 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.449 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 1.7 m120 37.62 40.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.402 ' O ' ' OG1' ' A' ' 26' ' ' THR . 2.4 mm100 -87.93 177.88 6.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -132.02 133.45 44.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 23.6 m-85 -135.11 113.02 10.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.1 mt -95.22 128.71 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.54 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.3 OUTLIER -116.13 114.08 23.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.458 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.16 160.13 43.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.458 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.2 Cg_endo -75.03 143.37 77.58 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.028 -2.488 . . . . 0.0 110.954 0.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.54 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 22.4 t -135.7 128.6 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -111.83 169.73 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.542 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.406 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 10.3 tpt180 -79.93 -34.84 38.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -11.02 59.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' OE1' ' NH1' ' A' ' 90' ' ' ARG . 1.8 mm-40 -85.51 -3.74 58.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 4.2 m-30 -67.43 -36.84 82.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.475 ' N ' ' OE1' ' A' ' 118' ' ' GLU . 1.4 ptt180 -84.54 38.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -149.62 -32.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.251 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.575 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 1.1 mpp_? -129.72 125.89 36.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.474 ' HE3' ' CD1' ' A' ' 114' ' ' LEU . 0.8 OUTLIER -115.87 153.27 31.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.989 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.55 HD21 ' CE2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -93.92 144.8 25.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.479 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 12.5 tt0 -134.08 92.84 3.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.4 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 3.6 mp -88.84 140.33 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.482 HG21 ' CB ' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -143.32 151.02 40.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.396 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.455 ' CD1' HG22 ' A' ' 46' ' ' VAL . 17.8 tp -113.86 137.41 51.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -143.76 165.51 27.46 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.418 ' HB3' ' CG ' ' A' ' 108' ' ' GLU . 2.7 t0 -121.03 129.07 53.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.63 102.24 8.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.37 179.7 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 59.7 153.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.4 m -59.39 -38.06 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 -115.77 156.72 25.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -62.86 124.71 21.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -176.45 -58.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -101.62 105.14 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.1 m -116.15 122.95 46.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.418 ' CG ' ' HB3' ' A' ' 98' ' ' ASP . 0.7 OUTLIER -89.73 151.71 21.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.598 ' CZ ' ' C ' ' A' ' 111' ' ' GLY . 38.7 t80 -98.81 122.64 42.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.6 mt -85.93 -45.88 11.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.598 ' C ' ' CZ ' ' A' ' 109' ' ' PHE . . . -177.34 -169.4 38.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.482 ' CB ' HG21 ' A' ' 95' ' ' THR . 6.4 pt-20 -147.9 143.49 27.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.76 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.42 ' CG2' HD13 ' A' ' 115' ' ' ILE . 23.7 mt -128.88 109.43 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.479 ' CD2' ' HG3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -98.39 129.43 45.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.42 HD13 ' CG2' ' A' ' 113' ' ' ILE . 4.7 mt -137.43 123.94 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 120' ' ' ALA . 2.0 mt-10 -89.6 126.05 35.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.57 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 20.2 mt -54.9 -39.42 68.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 88' ' ' ARG . 3.0 tp10 -57.0 -51.67 68.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.5 p -107.26 31.58 5.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 116' ' ' GLU . . . -77.95 157.07 29.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.8 mt -99.59 90.85 4.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 1.1 mt -105.22 118.34 36.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.454 ' C ' ' N ' ' A' ' 125' ' ' GLU . 3.8 t0 -176.03 36.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.605 ' CG ' ' CE3' ' A' ' 15' ' ' TRP . 11.0 m-20 38.75 31.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.478 ' O ' ' CE1' ' A' ' 127' ' ' HIS . 3.5 mt-10 -114.48 129.81 24.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.475 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 127.52 10.75 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' A' ' 125' ' ' GLU . 20.9 m80 -125.43 141.27 52.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.577 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 93.5 m95 -92.19 105.85 17.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 108.024 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 127' ' ' HIS . 43.0 m-85 -95.2 114.33 26.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -61.36 140.6 57.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.28 143.78 27.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -120.11 116.06 24.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 62.0 p -103.43 118.01 35.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 64.49 64.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.5 95.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.5 t -156.35 -57.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.024 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 104.75 170.52 24.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 119.46 5.67 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.474 1.776 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.44 132.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.02 135.98 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.36 129.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -76.8 177.92 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.013 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.16 109.21 2.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.144 . . . . 0.0 111.053 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 p -163.39 160.57 23.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m 62.35 98.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.492 ' CA ' ' HB2' ' A' ' 131' ' ' LEU . . . -66.9 146.76 48.7 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.438 1.086 . . . . 0.0 111.033 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . -100.91 -133.01 7.97 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -150.13 118.39 6.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 113' ' ' ILE . 36.5 tp -103.93 141.62 35.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.592 ' OG ' ' CE3' ' A' ' 128' ' ' TRP . 71.6 m -106.53 114.06 27.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.037 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mt -126.53 129.38 71.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -104.96 114.58 28.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.7 mt -102.21 147.16 26.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.429 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 3.8 t-105 -157.85 140.17 14.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 108.016 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.432 ' CD1' ' HZ ' ' A' ' 87' ' ' PHE . 68.9 t80 -104.05 146.29 28.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.543 ' CG ' ' CG2' ' A' ' 19' ' ' VAL . 5.8 t0 -122.1 118.2 28.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 -20.82 20.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.543 ' CG2' ' CG ' ' A' ' 17' ' ' ASP . 6.0 m -45.97 -68.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.484 ' H ' ' CG2' ' A' ' 19' ' ' VAL . . . -109.75 5.84 31.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.424 ' HA ' ' O ' ' A' ' 17' ' ' ASP . 29.8 m80 67.11 68.56 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.536 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -130.06 160.24 34.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 tp -111.98 114.56 27.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.482 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.5 mp -84.32 132.88 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 t -138.04 103.24 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.34 118.24 36.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.436 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.53 HG21 ' CE3' ' A' ' 73' ' ' TRP . 35.1 mm -89.1 97.43 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 12.7 mt -61.12 -100.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.578 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -163.15 160.08 32.63 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.84 175.44 6.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.599 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -159.96 162.78 34.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 52.13 50.9 17.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.4 mt -86.48 157.16 56.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.424 ' CG ' HD22 ' A' ' 110' ' ' LEU . 18.5 Cg_endo -74.98 128.88 11.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 0.0 111.047 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.6 p -105.41 -173.02 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -123.14 166.13 15.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -51.64 171.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 37' ' ' GLU . 13.1 m-20 62.64 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 37' ' ' GLU . . . 157.5 46.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.27 117.35 57.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.435 ' HG2' ' CB ' ' A' ' 67' ' ' LYS . 18.3 Cg_endo -74.98 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' NH1' ' OD2' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -141.83 -175.23 4.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -115.21 89.01 19.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 169.09 23.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -179.18 127.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.696 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 6.6 t -87.74 159.15 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HD3' ' CE2' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -148.64 108.16 3.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.475 HD11 ' CG1' ' A' ' 27' ' ' ILE . 2.7 mt -92.36 153.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.496 ' CE2' ' HD3' ' A' ' 47' ' ' LYS . 1.1 m-85 -154.91 98.11 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -61.58 96.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.472 ' CB ' ' HA ' ' A' ' 52' ' ' PRO . 5.4 mp -69.84 160.89 78.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.472 ' HA ' ' CB ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.05 -171.81 9.92 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.963 0.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 t0 68.35 153.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -145.83 102.34 3.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.65 -178.63 2.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 57' ' ' LYS . 5.5 t0 -61.75 -178.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER 82.15 -72.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -100.96 36.26 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 5.3 ttpt -117.95 153.83 32.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.539 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 41.5 mmt180 -142.26 122.34 13.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -133.39 149.21 51.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.9 p -98.33 173.43 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 142.86 54.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.3 m -80.31 113.12 18.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.453 ' CG1' HG22 ' A' ' 68' ' ' THR . 1.5 t -79.14 146.91 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -120.37 130.67 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.435 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 13.0 mttp 49.8 88.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.481 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.7 OUTLIER -176.96 114.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.5 mt -74.32 -20.05 60.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -130.25 89.82 43.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.95 41.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -140.62 103.08 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.696 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 4.1 m-90 -95.61 -45.79 6.9 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER 40.66 37.43 0.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -87.54 177.61 7.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 m -128.57 140.17 51.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.539 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 30.7 m-85 -143.27 114.76 8.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.5 mt -96.37 145.86 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.5 OUTLIER -135.45 111.0 9.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -147.81 160.27 38.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.985 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.461 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -75.02 143.97 79.45 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.984 0.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.536 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 4.3 t -129.23 128.58 66.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.579 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 21.7 m170 -105.14 170.28 7.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.599 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' HD2' ' CE2' ' A' ' 87' ' ' PHE . 1.0 OUTLIER -85.76 -33.48 21.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -1.19 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.295 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -91.44 -35.35 14.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 83' ' ' HIS . 13.7 m-30 -36.18 -31.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -65.24 -77.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -61.59 -21.41 64.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 87' ' ' PHE . 7.9 mpt_? -106.63 108.03 19.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.482 ' CE ' HD13 ' A' ' 114' ' ' LEU . 4.2 ttt -122.92 150.75 42.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.9 mt -92.49 147.52 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.459 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 7.2 tt0 -137.14 98.28 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.4 142.47 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.517 ' HB ' ' CE2' ' A' ' 97' ' ' TRP . 0.7 OUTLIER -144.65 141.59 29.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 17.4 tp -110.43 137.97 47.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.571 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -144.39 165.9 26.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 108.042 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.444 ' OD2' ' NH1' ' A' ' 42' ' ' ARG . 1.6 t0 -125.67 112.29 15.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.19 100.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -112.9 -170.71 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 49.65 -161.23 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 1.2 p -170.15 -48.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -106.06 63.31 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 167.33 -33.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 67.36 96.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -128.81 119.57 24.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.258 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 p -98.36 122.71 41.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.409 ' OE2' ' CD2' ' A' ' 110' ' ' LEU . 18.7 pt-20 -77.93 -9.73 59.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 21.3 t80 41.76 90.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.424 HD22 ' CG ' ' A' ' 34' ' ' PRO . 60.8 mt -57.39 -39.44 76.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.554 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 167.42 -179.02 41.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.476 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.1 pt-20 -131.69 135.24 46.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 0.798 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.442 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 7.8 mt -120.35 105.64 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.482 HD13 ' CE ' ' A' ' 91' ' ' MET . 0.2 OUTLIER -97.97 133.88 41.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.8 mt -136.91 120.72 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.439 ' HG2' ' CE ' ' A' ' 91' ' ' MET . 4.2 mt-10 -87.16 121.15 29.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.487 ' HB2' ' CA ' ' A' ' 87' ' ' PHE . 10.8 mt -45.3 -53.79 7.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.451 ' N ' ' HB3' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -45.82 -28.39 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' GLU . 1.5 p -122.61 28.69 7.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.448 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -92.91 107.01 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.567 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 3.9 pp -64.14 99.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -99.66 124.95 45.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 125' ' ' GLU . 1.6 t0 176.12 39.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.429 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 29.5 t70 38.72 32.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 123' ' ' ASP . 5.0 mt-10 -107.6 121.27 44.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.474 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.97 122.95 7.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.457 1.767 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.84 139.7 53.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.573 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.599 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 84.6 m95 -87.52 122.5 31.32 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -113.25 115.44 28.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 11.2 mtmt -63.81 154.43 33.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.663 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -93.93 157.01 16.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -128.24 113.08 15.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 16.6 p -105.59 92.52 4.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.3 77.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.65 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.98 161.23 28.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.2 t -129.83 -57.18 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -168.71 172.78 43.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.444 1.09 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.67 24.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.3 91.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 46.2 t -155.4 -58.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.47 -61.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.009 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -134.58 156.26 48.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.0 -159.43 22.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 m 61.41 161.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 0.741 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.4 p -117.02 162.48 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.91 142.15 25.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . -114.67 -129.66 4.76 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -145.79 119.75 9.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 0.774 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.476 HD23 ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -104.23 132.24 50.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.582 ' HB2' ' CZ3' ' A' ' 128' ' ' TRP . 6.5 t -95.6 127.2 41.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 13' ' ' LYS . 15.9 mt -141.6 167.04 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' N ' ' CG2' ' A' ' 12' ' ' ILE . 0.4 OUTLIER -133.89 132.59 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.5 mt -128.04 149.99 50.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -157.42 155.22 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -120.08 122.71 41.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -101.86 93.03 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -20.85 65.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.5 t -51.54 -71.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.84 2.9 62.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 65.74 53.21 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 109.586 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.38 143.84 48.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.418 ' CD2' HD11 ' A' ' 117' ' ' LEU . 10.7 tp -97.33 115.12 27.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.491 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.4 mp -88.84 135.48 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -150.93 126.72 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.489 HG22 ' CD1' ' A' ' 28' ' ' LEU . 1.2 m -123.23 125.11 44.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.552 ' O ' ' N ' ' A' ' 74' ' ' ASN . 41.4 mm -85.79 86.31 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -49.94 -99.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.62 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -164.32 159.59 32.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.57 169.84 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.59 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -157.39 167.27 30.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 50.59 49.06 21.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 20.1 mt -85.79 151.19 54.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 113.68 3.85 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.439 ' HA ' ' NH1' ' A' ' 42' ' ' ARG . 39.4 p -83.8 -172.62 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -107.23 -65.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER 167.18 173.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 41.19 30.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.343 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 37' ' ' GLU . . . 63.01 56.62 19.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -107.95 104.31 52.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -161.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' NH1' ' HA ' ' A' ' 35' ' ' SER . 0.4 OUTLIER -158.4 -172.38 3.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -116.55 82.21 12.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 165.18 31.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.2 p90 -171.81 136.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.707 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 5.2 t -89.2 160.24 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -143.82 106.99 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.42 ' CD1' HG13 ' A' ' 27' ' ' ILE . 1.7 mt -91.67 150.58 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.488 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 2.4 m-85 -154.59 102.64 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 53' ' ' ASP . 48.0 t80 -74.28 92.19 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.546 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -80.3 156.06 74.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.546 ' HA ' ' HB3' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 132.37 27.33 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.02 -0.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 0.3 OUTLIER 159.81 155.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -175.46 168.78 3.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 2.5 t 84.86 -59.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -164.39 -165.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.35 -73.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -106.61 35.96 2.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.488 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 3.5 ttpt -103.02 128.12 49.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.565 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -142.5 131.57 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -139.12 146.65 40.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.6 p -83.33 172.45 12.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.59 144.03 55.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.7 m -80.2 116.23 20.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.424 ' CG1' HG23 ' A' ' 68' ' ' THR . 1.4 t -79.39 148.09 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' LYS . 12.3 mmtt -113.15 123.31 49.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 66' ' ' LYS . 32.7 mtpt 48.14 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.476 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -177.97 114.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.7 mt -73.84 -20.82 60.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -129.28 90.87 43.47 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.505 ' HB2' ' CZ2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -75.0 152.9 41.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -140.36 103.12 4.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.707 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 2.3 m-90 -101.58 -47.7 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 108.021 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER 38.91 38.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -80.03 177.07 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.515 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 20.8 m -117.23 140.75 49.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 110.368 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 30.0 m-85 -148.43 114.5 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.1 mt -104.05 145.12 13.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 7.2 m-85 -135.08 110.93 9.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.66 160.43 41.28 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.466 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.0 142.49 74.91 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.97 0.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.536 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 11.2 t -132.68 117.5 30.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -105.41 157.33 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.61 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -67.84 -29.17 68.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -6.18 55.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.3 mm-40 -99.8 -12.45 19.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 3.7 m-30 -55.71 -53.93 50.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -64.02 -11.46 29.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -110.42 -1.63 16.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -144.88 122.06 11.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.46 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -126.44 148.96 49.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.445 ' CD2' HD23 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -93.75 143.66 26.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.469 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 21.8 tt0 -131.03 97.68 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.518 ' CG2' ' CG1' ' A' ' 46' ' ' VAL . 2.9 mp -97.21 131.01 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.67 148.96 51.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 20.2 tp -115.46 138.87 50.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.579 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 2.7 m95 -140.76 176.3 8.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 2.1 t0 -130.72 99.07 4.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.59 94.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 98' ' ' ASP . . . -81.59 -68.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -93.67 -69.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 1.2 p 176.22 148.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 60.09 -179.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -90.17 59.02 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -124.1 -67.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -98.89 48.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.79 153.71 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.66 127.03 51.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.61 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 39.4 t80 -71.95 112.86 8.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 90.3 mt -80.16 -27.4 39.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.61 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 153.88 170.35 19.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . 2.4 pt-20 -132.43 136.42 46.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.438 HD13 ' CB ' ' A' ' 10' ' ' LEU . 23.7 mt -117.5 121.98 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -107.24 135.74 48.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.437 HD13 ' CD1' ' A' ' 94' ' ' ILE . 7.8 mt -135.05 118.07 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 120' ' ' ALA . 39.2 mt-10 -88.49 113.6 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.52 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 17.5 mt -50.85 -29.13 11.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -53.69 -52.4 60.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.6 p -117.15 26.13 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -66.52 149.81 49.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.9 90.75 8.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.0 mt -106.43 106.96 17.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -171.71 34.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.8 t0 48.8 25.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -115.0 108.55 48.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.49 ' CB ' HD21 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.95 130.98 13.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -125.75 144.19 50.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.617 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.59 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 86.2 m95 -78.69 125.0 28.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.055 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -112.04 129.94 56.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 2.7 mtmt -66.09 157.3 31.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.639 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -95.93 165.98 12.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -128.61 112.42 14.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 44.2 p -107.72 2.03 23.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.38 159.32 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.658 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -134.08 151.37 51.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.1 m -120.94 128.44 52.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 54.02 175.13 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.576 1.172 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.11 29.87 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.76 80.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 10.0 t 47.98 84.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -163.9 152.47 13.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.767 . . . . 0.0 109.96 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -159.91 163.99 33.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.51 -154.1 8.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.0 m -155.31 162.37 40.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 110.031 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -171.08 161.69 6.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.011 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.48 152.18 16.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.45 -129.9 2.51 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -139.07 135.08 33.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -115.84 136.56 52.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.568 ' HB2' ' CH2' ' A' ' 128' ' ' TRP . 2.4 t -102.36 120.44 40.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mt -132.7 131.72 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' CE ' HD21 ' A' ' 28' ' ' LEU . 2.4 ttmt -106.05 114.8 29.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.4 mt -105.35 145.27 30.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.411 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.6 t-105 -154.22 132.84 12.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.027 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.427 ' N ' ' HB3' ' A' ' 122' ' ' LEU . 65.7 t80 -91.38 148.7 22.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.518 ' OD2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -122.56 112.32 17.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.92 -24.2 16.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.163 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.518 ' CG2' ' OD2' ' A' ' 17' ' ' ASP . 13.3 m -50.24 -63.48 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.446 ' H ' ' CG2' ' A' ' 19' ' ' VAL . . . -104.25 1.54 43.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.485 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 89.1 m-70 68.03 62.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 0.788 . . . . 0.0 109.57 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -129.77 174.55 9.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 79' ' ' TYR . 59.7 tp -127.57 115.17 18.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.569 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.3 mp -86.14 133.3 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' PHE . 40.8 t -136.08 96.88 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.9 125.11 40.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.465 ' CG1' HD13 ' A' ' 48' ' ' ILE . 49.9 mm -96.93 91.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 15.4 mt -53.99 -100.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.582 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.35 170.26 35.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.47 164.2 12.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -157.44 151.65 24.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t0 73.73 42.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.4 mt -91.62 157.56 41.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 142.75 28.4 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.485 1.781 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.566 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . 64.1 p -145.14 -172.4 3.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -105.3 131.88 52.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -48.16 -80.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.28 40.01 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.22 -118.89 2.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -144.09 160.66 48.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 0.794 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 67' ' ' LYS . 18.3 Cg_endo -75.03 -161.9 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -137.11 -174.86 3.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -116.18 90.42 28.88 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 162.05 37.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.9 p90 -173.38 131.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.693 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 19.7 t -86.32 162.15 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -149.18 110.36 4.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.465 HD13 ' CG1' ' A' ' 27' ' ' ILE . 3.3 mt -92.04 149.89 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -153.93 98.75 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.577 ' CE1' HD12 ' A' ' 117' ' ' LEU . 0.8 OUTLIER -75.18 108.62 8.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.493 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -73.09 155.15 90.46 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.07 -168.99 6.96 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.965 -2.515 . . . . 0.0 110.976 0.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.2 m-20 77.01 135.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' C ' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -134.34 27.1 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' ASP . 36.0 t -137.93 110.6 7.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' SER . 1.4 t0 40.13 -154.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt 67.97 -82.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -111.25 49.51 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 3.1 ttpt -120.02 112.0 18.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.3 mmt-85 -113.63 120.58 41.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.45 139.77 53.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.8 p -82.58 168.62 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.399 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 145.07 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.1 m -80.63 115.19 20.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -85.06 147.21 5.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -119.69 138.76 53.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.454 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 22.2 mtpt 44.59 85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.508 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -178.15 112.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.421 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.566 ' CD2' ' HB3' ' A' ' 35' ' ' SER . 4.5 mp -75.45 -19.61 59.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -128.12 87.39 55.6 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.4 Cg_endo -74.99 152.33 40.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -137.73 97.21 3.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.693 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 4.6 m-90 -89.56 -43.35 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 107.996 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER 38.81 40.61 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.02 -176.77 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 m -137.17 130.16 30.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' VAL . 27.2 m-85 -131.39 113.6 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 12.3 mt -94.87 137.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.516 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.6 m-85 -127.2 113.87 16.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -145.59 161.28 41.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.492 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -75.0 144.64 81.59 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.958 0.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 24.8 t -137.37 121.53 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -110.29 160.76 16.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.615 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -77.05 -13.07 60.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.26 -5.88 42.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -97.33 -16.24 20.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.54 ' CD1' ' HB3' ' A' ' 117' ' ' LEU . 3.3 m-30 -50.56 -56.25 12.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -57.12 -16.23 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -114.6 25.24 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.454 ' HB3' ' CD1' ' A' ' 117' ' ' LEU . 3.2 mtt180 -160.07 145.85 15.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.492 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 1.1 ttt -145.8 141.27 27.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.433 HD11 ' CD2' ' A' ' 23' ' ' LEU . 5.7 mt -93.31 151.42 19.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.407 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 18.9 tt0 -138.27 115.01 10.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.555 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 1.9 mp -114.41 145.92 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.504 HG22 ' CB ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -145.56 143.49 29.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.403 ' CD1' HG21 ' A' ' 46' ' ' VAL . 17.7 tp -112.62 133.14 54.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -140.21 173.75 11.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 107.982 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' ALA . 0.9 OUTLIER -130.38 112.65 13.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.83 90.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' ASP . . . -95.05 -172.25 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 49.26 -178.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 26.0 m -116.12 -45.91 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.8 mtt85 -138.01 90.31 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 171.86 156.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -87.57 43.52 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.73 121.74 28.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 p -123.98 123.31 40.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -78.15 -24.62 47.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 111' ' ' GLY . 55.1 t80 53.26 105.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.3 mt -77.3 -34.44 55.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.473 ' O ' ' CE1' ' A' ' 109' ' ' PHE . . . 169.57 -173.25 43.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.504 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.2 pt-20 -143.01 140.82 31.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 110.306 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 26.3 mt -125.72 116.09 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.492 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -107.55 134.3 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.7 mt -135.75 124.71 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 120' ' ' ALA . 20.3 mt-10 -89.7 125.67 35.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.577 HD12 ' CE1' ' A' ' 50' ' ' PHE . 10.5 mt -54.65 -36.76 64.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -52.92 -51.54 60.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.1 p -107.14 26.15 10.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.43 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -71.04 165.43 23.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.484 ' C ' ' CD1' ' A' ' 122' ' ' LEU . 10.7 mt -124.39 112.39 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.484 ' CD1' ' C ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -125.05 87.84 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.44 32.26 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 48.29 35.63 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.087 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -116.44 123.1 31.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.465 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.96 124.28 8.53 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -123.45 134.75 53.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 11' ' ' SER . 90.3 m95 -88.34 106.47 18.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 107.983 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -90.86 142.1 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -76.26 145.58 39.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.7 140.71 29.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -114.05 117.27 30.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 7.0 p -99.89 97.37 8.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.75 163.32 38.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.631 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -93.26 149.87 20.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.9 p -170.36 159.06 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.012 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -151.3 172.25 30.85 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.15 8.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 85.2 p -123.16 87.38 2.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.9 t 50.05 95.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 110.972 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 p -158.1 147.5 19.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 t 63.15 166.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.022 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.51 -157.94 15.55 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.69 177.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.021 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 m 57.71 -177.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.22 164.73 31.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -117.84 -130.3 4.27 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -128.45 137.87 52.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -119.23 140.39 50.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.48 ' HB2' ' CZ3' ' A' ' 128' ' ' TRP . 3.3 t -108.99 122.28 46.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mt -132.28 132.94 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' CE ' HD22 ' A' ' 28' ' ' LEU . 4.8 ttmt -106.76 125.85 51.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 11.4 mt -119.34 149.26 42.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.474 ' CA ' ' HB3' ' A' ' 122' ' ' LEU . 4.3 t-105 -155.84 130.15 8.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.414 ' N ' ' HB3' ' A' ' 122' ' ' LEU . 44.0 t80 -95.91 119.76 34.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' HIS . 1.0 OUTLIER -95.91 81.14 3.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -18.77 59.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.6 -71.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.41 1.67 82.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.455 ' CE1' ' CE1' ' A' ' 83' ' ' HIS . 30.2 m80 62.42 54.28 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.97 150.43 50.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD2' HD13 ' A' ' 92' ' ' LEU . 17.8 tp -101.35 117.98 36.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.492 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.5 mp -93.92 123.71 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.42 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -135.69 105.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.58 115.66 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.492 HG23 ' CE3' ' A' ' 73' ' ' TRP . 46.1 mm -78.6 96.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 126' ' ' PRO . 16.7 mt -59.28 -100.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.502 ' HA2' ' CE3' ' A' ' 73' ' ' TRP . . . -162.61 159.32 31.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.424 1.077 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.91 163.05 13.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.561 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.13 168.58 26.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 48.21 40.04 13.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.3 mt -74.39 157.06 86.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.454 ' O ' ' NH2' ' A' ' 42' ' ' ARG . 18.5 Cg_endo -74.98 95.03 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.797 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.481 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 8.5 t -89.4 -130.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER 71.39 173.86 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 65.05 133.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t70 73.69 -59.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.71 -43.72 1.32 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -86.06 163.44 43.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.511 ' HG2' ' HB2' ' A' ' 67' ' ' LYS . 18.2 Cg_endo -75.06 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.781 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.498 ' O ' ' HA ' ' A' ' 67' ' ' LYS . 0.9 OUTLIER -137.4 -170.67 2.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.327 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.701 ' N ' HD21 ' A' ' 43' ' ' ASN . 0.8 OUTLIER -113.41 83.48 6.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.495 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 18.4 Cg_endo -75.01 166.58 28.89 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 34.7 p90 -170.17 122.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.665 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 7.3 t -77.28 158.16 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 111.31 6.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.465 HD12 ' CG1' ' A' ' 27' ' ' ILE . 3.5 mt -91.53 146.63 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 59' ' ' LYS . 0.9 OUTLIER -154.73 98.64 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.586 ' CZ ' HD13 ' A' ' 117' ' ' LEU . 7.7 t80 -66.36 104.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 60.7 mt -73.93 151.35 88.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.04 -167.42 5.64 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.977 0.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.3 t70 81.29 145.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.428 ' C ' ' CE1' ' A' ' 49' ' ' TYR . 1.5 mtp180 -140.02 29.63 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.9 p -111.52 179.59 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -57.83 -166.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 72.97 -72.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -93.42 33.52 1.23 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 1.1 ttpt -125.92 132.77 52.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.528 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 14.2 mmt180 -131.86 122.45 25.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.91 137.75 54.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.264 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 80.5 p -81.44 168.47 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.43 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.72 144.97 56.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.0 m -80.97 115.24 20.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.473 ' CG1' HG22 ' A' ' 68' ' ' THR . 2.0 t -70.42 174.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.567 ' O ' ' C ' ' A' ' 67' ' ' LYS . 13.7 mmtt -126.73 128.29 46.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.567 ' C ' ' O ' ' A' ' 66' ' ' LYS . 20.0 pttt 26.9 84.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.503 ' N ' ' HB2' ' A' ' 41' ' ' PRO . 0.6 OUTLIER -160.85 126.65 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 35' ' ' SER . 96.3 mt -81.82 -23.51 36.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -120.22 84.1 33.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.581 ' HB2' ' CZ2' ' A' ' 73' ' ' TRP . 18.2 Cg_endo -74.99 132.8 15.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -117.43 102.55 9.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.665 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 5.0 m-90 -97.4 -46.09 6.21 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 40.11 38.04 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.57 -177.97 6.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.5 m -131.28 146.26 52.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.528 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 55.3 m-85 -148.14 113.43 5.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.1 mt -98.11 133.25 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.523 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.5 m-85 -125.8 111.92 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.49 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -145.92 161.08 41.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.49 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -74.97 142.43 74.74 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.029 -0.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.523 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 15.7 t -134.38 104.72 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.455 ' CE1' ' CE1' ' A' ' 21' ' ' HIS . 17.7 m-70 -99.27 150.66 21.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.627 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -61.97 -13.04 21.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.97 -1.95 48.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -96.55 -30.48 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.337 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 7.4 m-30 -39.2 -33.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 89' ' ' GLU . 25.4 ttp85 -67.34 127.71 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 88' ' ' ARG . 37.2 mt-10 82.95 -45.47 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -83.98 107.4 16.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -119.66 161.1 21.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.466 ' CD1' HD23 ' A' ' 117' ' ' LEU . 2.5 mt -93.47 148.04 22.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -134.03 100.19 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.439 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 1.9 mp -108.63 134.7 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.524 ' HB ' ' CE2' ' A' ' 97' ' ' TRP . 0.9 OUTLIER -138.65 145.28 40.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.484 ' CD1' HG22 ' A' ' 46' ' ' VAL . 27.3 tp -111.3 131.35 55.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.524 ' CE2' ' HB ' ' A' ' 95' ' ' THR . 0.1 OUTLIER -139.53 167.75 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.016 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 100' ' ' ALA . 1.8 t0 -118.55 114.82 23.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.426 ' NE2' ' HB2' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -59.15 82.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 98' ' ' ASP . . . -75.92 -88.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -72.34 159.7 33.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.2 m -72.74 -174.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 51.5 -175.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.26 83.91 4.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 179.48 174.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 54.11 82.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 p -113.67 145.33 41.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.006 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.429 ' OE2' ' C ' ' A' ' 109' ' ' PHE . 1.2 pp20? -100.49 -24.52 14.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 35.0 t80 56.15 111.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.417 ' N ' ' OE2' ' A' ' 108' ' ' GLU . 18.0 mt -82.51 -38.2 24.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.502 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 173.32 173.79 39.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.47 ' CB ' HG23 ' A' ' 95' ' ' THR . 2.9 pt-20 -131.54 133.66 45.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.409 HD12 ' CB ' ' A' ' 10' ' ' LEU . 12.9 mt -122.67 109.75 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.426 ' CD1' ' CE ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -105.39 138.65 41.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.259 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.5 mp -136.72 126.77 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 120' ' ' ALA . 37.1 mt-10 -87.25 118.74 26.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.586 HD13 ' CZ ' ' A' ' 50' ' ' PHE . 14.8 mt -55.46 -33.0 63.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -55.62 -48.36 75.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.8 p -111.26 24.37 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -71.84 166.99 20.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.423 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 2.3 pp -124.27 115.09 20.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -125.19 101.54 7.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -157.39 27.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.403 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 48.7 t0 55.07 44.08 28.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -120.87 121.88 28.68 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.471 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.02 124.09 8.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -123.55 144.81 49.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.565 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.561 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 93.8 m95 -99.03 104.96 17.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.019 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -92.11 121.87 34.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -61.23 142.49 56.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.17 137.91 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -120.84 116.85 25.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.246 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 56.7 p -94.15 106.52 18.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.64 162.08 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.616 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -45.53 -53.64 8.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.85 156.8 0.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -98.26 170.21 24.48 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 164.01 34.3 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.534 1.808 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.9 m -141.39 133.98 28.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.024 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.04 161.2 18.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.046 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -143.32 -56.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.05 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.2 m 42.02 85.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.29 146.55 18.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -107.64 88.06 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.052 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 m -101.99 122.49 44.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.964 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.88 152.5 5.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.152 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.45 -131.21 2.79 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -139.95 143.81 36.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 113' ' ' ILE . 46.0 tp -129.56 141.28 51.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.595 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 75.4 m -105.56 109.81 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.04 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 mt -119.22 122.88 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.3 ttmt -103.09 114.47 28.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 19.6 mt -105.04 154.77 19.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.445 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 17.4 t-105 -158.39 156.81 31.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.011 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -123.68 122.95 39.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -100.88 80.0 2.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -17.06 16.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.4 t -57.89 -62.88 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.86 6.07 47.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.4 m80 60.49 57.93 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.566 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.62 133.53 47.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tp -85.15 122.36 29.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.445 ' CG2' ' HB3' ' A' ' 15' ' ' TRP . 1.6 mp -96.74 133.52 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.467 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -145.69 107.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.48 130.98 52.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.448 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.593 ' CG2' ' CE3' ' A' ' 73' ' ' TRP . 50.4 mm -93.84 92.25 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' HA ' ' HA ' ' A' ' 74' ' ' ASN . 9.6 mt -56.44 -100.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.555 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -161.19 158.73 30.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.39 173.1 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -163.96 166.41 21.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 54.37 38.07 28.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.8 mt -76.36 157.49 82.67 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.451 ' O ' ' NE ' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -75.04 110.7 3.17 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.445 1.761 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.522 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 13.5 t -106.93 -178.86 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.041 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' N ' ' OG ' ' A' ' 35' ' ' SER . 10.4 mtt-85 -130.47 140.09 50.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -46.49 -84.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -113.6 42.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 40' ' ' ARG . . . -126.19 36.76 2.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER 56.98 157.88 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.524 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -75.02 -94.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER 156.76 174.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.07 95.37 46.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 147.18 33.48 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.481 1.78 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -162.57 134.68 5.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.555 HG21 ' CZ2' ' A' ' 73' ' ' TRP . 12.7 t -97.22 150.27 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -134.77 108.46 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.486 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.2 mt -90.9 150.84 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 59' ' ' LYS . 49.0 m-85 -155.01 98.44 2.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CE2' HD23 ' A' ' 92' ' ' LEU . 40.1 t80 -74.66 117.36 16.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.494 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -100.84 157.23 34.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.551 ' O ' ' CB ' ' A' ' 53' ' ' ASP . 18.2 Cg_endo -75.02 131.59 24.74 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.014 0.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.5 m-20 152.59 105.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -120.28 73.64 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 t -171.53 -178.33 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -52.45 178.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.4 -76.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -74.49 -25.01 59.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 1.9 tmmt? -67.62 119.27 12.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.499 ' HD2' ' CE1' ' A' ' 77' ' ' PHE . 9.4 mmt180 -123.65 115.65 21.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' HG2' ' N ' ' A' ' 62' ' ' THR . 5.5 tmm_? -125.6 138.55 53.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.431 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 72.4 p -81.49 162.6 23.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -57.99 144.65 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.3 m -80.73 118.27 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.381 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -88.6 134.71 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 67' ' ' LYS . 4.8 mttp -103.95 145.14 30.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 39.31 90.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 179.96 120.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.522 ' CD1' ' HB2' ' A' ' 35' ' ' SER . 19.1 mt -85.98 -16.61 37.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.52 88.76 28.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -179.08 4.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HA ' ' HA3' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -172.73 84.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.593 ' CE3' ' CG2' ' A' ' 27' ' ' ILE . 1.1 m-90 -77.28 -29.75 53.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.474 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER 35.22 36.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' TRP . 3.6 mm-40 -83.86 177.14 8.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 m -128.93 140.66 51.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.499 ' CE1' ' HD2' ' A' ' 60' ' ' ARG . 27.4 m-85 -140.63 113.41 8.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.8 mt -96.94 144.94 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.485 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 12.3 m-85 -135.83 111.37 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.486 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.38 161.27 39.38 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.01 141.03 70.55 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.045 -0.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 24.3 t -135.87 114.1 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -97.16 161.97 13.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.618 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -71.75 -40.79 69.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -6.49 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.24 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' OE1' ' NE ' ' A' ' 90' ' ' ARG . 1.8 mm-40 -92.52 -16.0 26.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -56.31 -33.59 65.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -89.83 4.98 48.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -105.07 -26.22 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 90' ' ' ARG . 0.5 OUTLIER -138.41 174.76 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -151.69 155.6 38.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.564 HD23 ' CE2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -92.29 154.3 18.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.53 ' HG3' ' CD1' ' A' ' 114' ' ' LEU . 19.4 tt0 -141.24 96.09 2.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 95' ' ' THR . 4.5 mp -90.73 150.15 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.528 ' HB ' ' CZ2' ' A' ' 97' ' ' TRP . 1.0 OUTLIER -140.94 144.19 35.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.421 ' C ' ' CD1' ' A' ' 97' ' ' TRP . 52.4 tp -131.26 137.3 48.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 0.0 OUTLIER -152.6 179.47 8.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 108.023 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 100' ' ' ALA . 1.4 t0 -120.88 117.15 26.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -55.16 87.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 98' ' ' ASP . . . -81.98 -85.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -89.79 -163.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.27 165.55 25.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.05 24.77 14.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 47.79 96.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -139.27 -47.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.88 126.0 43.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 p -136.91 132.9 35.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.45 ' OE2' ' NH1' ' A' ' 42' ' ' ARG . 7.0 pt-20 -90.04 -10.54 44.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.462 ' CD1' ' CZ3' ' A' ' 97' ' ' TRP . 35.4 t80 33.88 84.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.1 mt -55.12 -25.53 32.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 138.41 155.19 6.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.473 ' HB2' ' CG2' ' A' ' 95' ' ' THR . 1.0 OUTLIER -108.49 145.53 34.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.335 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 92.5 mt -115.99 101.45 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.53 ' CD1' ' HG3' ' A' ' 93' ' ' GLU . 1.1 mp -92.81 147.07 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 114' ' ' LEU . 2.0 mp -142.47 134.86 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -95.93 106.13 18.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.43 ' HA ' ' CB ' ' A' ' 120' ' ' ALA . 12.5 mt -41.42 -32.32 0.31 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -58.35 -54.04 51.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 33.6 p -102.02 22.51 12.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.451 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.43 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -75.36 132.44 40.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.57 88.04 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.413 HD21 ' N ' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -89.33 121.69 31.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' ASP . 3.0 t0 -173.0 34.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' ASP . 25.5 t70 39.33 35.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.485 ' O ' ' CD2' ' A' ' 127' ' ' HIS . 6.8 mt-10 -109.96 128.89 24.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.47 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.04 122.89 7.47 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 73.8 m-70 -125.74 134.98 51.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.619 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.595 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 97.3 m95 -85.94 105.16 16.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 108.011 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 127' ' ' HIS . 33.2 m-85 -95.55 128.31 42.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.01 139.04 42.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.419 ' CD2' HG13 ' A' ' 113' ' ' ILE . 1.1 mt -85.41 156.32 20.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -127.41 143.48 51.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 72.3 p -126.59 75.76 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -166.52 102.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.629 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -162.82 124.67 2.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.6 t -120.7 149.93 41.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -159.02 170.89 35.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 62.4 5.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.798 . . . . 0.0 110.982 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.49 -59.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 t 75.01 -58.69 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -115.5 158.08 23.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.785 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -158.38 80.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.044 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.82 112.18 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -122.1 154.49 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.969 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 m -167.09 140.03 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.72 148.24 17.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -119.33 -116.07 2.6 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -137.76 132.41 32.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.423 ' CD1' HG23 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -117.52 137.99 52.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.416 ' N ' HD23 ' A' ' 10' ' ' LEU . 16.1 m -103.79 115.17 29.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 mt -125.45 128.78 72.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' CE ' HD23 ' A' ' 28' ' ' LEU . 3.3 ttmt -108.15 123.5 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.451 ' CD2' HG13 ' A' ' 25' ' ' VAL . 13.4 mt -115.18 153.65 30.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -158.14 145.32 17.99 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -106.42 133.15 51.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 21' ' ' HIS . 2.4 m-20 -113.36 84.08 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -18.85 42.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.8 t -52.84 -64.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.2 5.44 33.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' ASP . 15.5 m170 61.9 61.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.657 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.48 150.23 50.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.428 HD23 ' CD2' ' A' ' 117' ' ' LEU . 9.9 tp -99.09 116.89 32.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.414 ' N ' ' CD1' ' A' ' 24' ' ' ILE . 1.7 mp -89.51 101.6 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.451 HG13 ' CD2' ' A' ' 14' ' ' LEU . 28.9 t -107.35 112.3 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -110.99 119.21 38.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.58 HG21 ' CE3' ' A' ' 73' ' ' TRP . 49.2 mm -88.6 91.58 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.48 ' HA ' ' HA ' ' A' ' 74' ' ' ASN . 16.9 mt -54.68 -98.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.557 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -157.88 171.19 34.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.36 155.14 25.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.566 ' CG ' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -144.05 165.46 27.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.417 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 72.0 m-20 55.26 54.59 8.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.13 159.63 31.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 123.33 7.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.541 1.811 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.404 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . 14.9 p -120.48 -163.63 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.937 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.96 124.33 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.33 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -39.33 -85.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.91 47.2 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.85 -120.91 2.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -146.53 159.92 43.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.459 ' HG2' ' CG ' ' A' ' 67' ' ' LYS . 18.3 Cg_endo -75.04 -160.8 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.546 1.813 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' NH1' HD22 ' A' ' 110' ' ' LEU . 1.1 ptp180 -145.83 -174.37 4.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -115.55 88.66 20.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.86 43.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.567 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 2.0 p90 -170.53 124.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.613 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 44.5 t -78.04 163.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -149.23 116.66 6.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.459 HD13 ' CG1' ' A' ' 27' ' ' ILE . 3.4 mt -91.23 147.93 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -150.44 107.44 3.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.413 ' CZ ' HD23 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -83.17 127.56 33.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.513 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 1.2 mm? -105.68 154.87 38.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.548 ' O ' ' CB ' ' A' ' 53' ' ' ASP . 18.1 Cg_endo -75.0 133.46 31.53 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 120.96 -2.517 . . . . 0.0 110.99 -0.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.9 m-20 152.0 111.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -131.56 32.53 4.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.47 -80.01 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.994 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.621 ' HA ' ' CG ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -151.66 175.16 12.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt 75.06 30.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 p30 167.2 36.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.621 ' CG ' ' HA ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -130.04 53.27 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.529 ' HD2' ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -81.25 118.52 22.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 160.37 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.439 ' HB ' ' CD1' ' A' ' 73' ' ' TRP . 75.6 p -80.64 169.57 17.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.53 148.39 33.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.9 m -80.72 111.19 16.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.455 ' CG1' HG22 ' A' ' 68' ' ' THR . 1.0 OUTLIER -80.31 145.69 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -112.58 132.59 55.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 41' ' ' PRO . 14.2 mtmm 43.47 91.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.513 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -178.36 112.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.424 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' CD1' ' HB3' ' A' ' 35' ' ' SER . 4.2 mm? -75.6 -19.28 59.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -126.96 86.06 59.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.479 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.99 145.43 31.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -131.55 96.35 3.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.613 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 4.0 m-90 -89.69 -43.88 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 107.981 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 41.31 35.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.409 ' O ' ' OG1' ' A' ' 26' ' ' THR . 2.5 mm100 -86.4 -175.03 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -136.43 143.56 43.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.436 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.529 ' CE1' ' HD2' ' A' ' 60' ' ' ARG . 29.0 m-85 -138.87 113.34 8.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.4 mt -94.83 129.48 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.513 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 40.2 m-85 -124.48 111.79 16.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.515 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -145.39 162.53 36.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.515 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.04 141.8 72.82 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.977 0.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 17.3 t -134.5 108.0 10.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -96.81 166.82 11.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.577 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.462 ' HD2' ' CE2' ' A' ' 87' ' ' PHE . 1.5 tpt180 -79.62 -21.37 44.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.47 -8.61 59.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -93.59 -28.03 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 7.0 m-30 -40.44 -54.71 2.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.6 ttt85 -45.47 -53.63 8.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.44 44.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.426 ' O ' HD12 ' A' ' 117' ' ' LEU . 11.4 mtt180 -158.48 142.79 15.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.596 ' HA ' ' CD1' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -152.9 136.78 16.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.8 mt -92.35 137.53 32.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.48 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 9.5 tt0 -121.2 100.24 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.439 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 1.8 mp -99.66 137.57 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.495 ' HB ' ' CE2' ' A' ' 97' ' ' TRP . 1.0 OUTLIER -138.58 145.96 41.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.364 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' A' ' 46' ' ' VAL . 21.3 tp -115.76 131.18 57.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.556 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 0.0 OUTLIER -140.58 175.06 9.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 108.045 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.83 97.19 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -39.67 110.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -107.69 -85.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.79 151.9 39.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.3 m -89.7 -173.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.65 30.55 19.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.241 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 46.23 86.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -171.4 159.03 5.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 52.43 101.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 110.321 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.72 137.84 51.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.964 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 109' ' ' PHE . 2.1 tt0 -88.78 -33.61 17.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.493 ' HB2' ' CE3' ' A' ' 97' ' ' TRP . 73.8 t80 57.57 116.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.429 HD22 ' NH1' ' A' ' 42' ' ' ARG . 34.3 mt -92.24 -31.4 15.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 170.22 179.54 41.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.486 ' CB ' HG21 ' A' ' 95' ' ' THR . 4.0 pt-20 -139.56 144.18 37.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.288 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.3 mt -126.66 106.51 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.507 HD13 ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -94.12 132.66 38.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.4 mt -138.36 149.67 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 120' ' ' ALA . 8.2 mt-10 -114.86 141.36 48.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.596 ' CD1' ' HA ' ' A' ' 91' ' ' MET . 1.5 mp -80.28 -12.52 59.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -68.03 -31.98 72.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 82.4 p -125.81 -1.34 7.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.501 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -43.01 135.09 3.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.04 87.05 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.442 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 4.3 mt -88.69 114.41 25.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -169.92 35.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.2 t0 40.91 35.77 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 127' ' ' HIS . 39.2 mt-10 -106.64 120.37 48.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.477 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.93 123.14 7.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 125' ' ' GLU . 53.9 m-70 -125.81 141.76 51.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.608 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.566 ' CZ3' ' CG ' ' A' ' 31' ' ' LYS . 80.6 m95 -86.95 105.35 17.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 107.996 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -90.43 125.21 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -72.06 144.31 48.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.1 mt -99.66 142.31 31.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -113.35 122.03 46.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 40.2 p -109.66 90.67 3.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.78 174.71 9.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.593 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.21 -57.05 11.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.6 t 41.02 87.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.88 167.89 20.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 179.39 6.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.93 121.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.025 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 24.9 t -150.11 137.33 19.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -141.99 146.4 35.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.848 HD13 ' HB2' ' A' ' 30' ' ' ALA . 45.5 tp -130.0 140.48 50.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.453 ' HB2' ' CH2' ' A' ' 128' ' ' TRP . 2.0 t -103.46 119.09 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mt -128.05 128.36 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.738 ' CE ' HD21 ' A' ' 28' ' ' LEU . 8.0 ttmt -100.89 114.21 27.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.472 ' HB3' HD23 ' A' ' 122' ' ' LEU . 74.8 mt -106.31 151.37 24.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.517 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 41.9 t-105 -158.61 153.65 25.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 107.985 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.449 ' CD1' ' CZ ' ' A' ' 87' ' ' PHE . 31.9 t80 -125.18 110.82 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.76 86.36 7.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -20.25 65.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 88.8 t -55.14 -72.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.79 4.05 81.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 31.4 m170 62.67 59.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.595 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.62 142.48 50.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.832 HD21 HD11 ' A' ' 92' ' ' LEU . 4.7 tp -94.21 121.29 35.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.523 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.5 mp -98.6 143.02 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.636 HG13 ' HB2' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -158.45 101.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.748 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -96.39 125.75 41.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.402 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.98 HG22 ' CE3' ' A' ' 73' ' ' TRP . 47.1 mm -88.36 91.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.738 HD21 ' CE ' ' A' ' 13' ' ' LYS . 13.6 mt -55.41 -99.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.589 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.88 166.88 35.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.848 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -104.91 164.77 11.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.562 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.32 167.65 29.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 51.22 44.56 28.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.621 HD21 ' HB1' ' A' ' 30' ' ' ALA . 19.0 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' NH1' ' CD2' ' A' ' 110' ' ' LEU . 4.8 ptp180 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -114.34 92.17 26.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 149.84 37.54 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.2 p90 -162.55 133.43 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.705 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 3.5 t -88.15 162.56 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -149.62 108.06 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.868 HD11 HG13 ' A' ' 27' ' ' ILE . 3.3 mt -91.44 152.6 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.435 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -153.54 98.18 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.463 ' HE1' HD11 ' A' ' 117' ' ' LEU . 55.3 t80 -70.78 98.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 27.8 mmt180 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -135.84 152.47 51.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.5 p -99.26 164.8 11.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 110.398 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -61.95 143.38 56.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 m -80.35 112.62 17.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.723 HG11 HG21 ' A' ' 68' ' ' THR . 1.3 t -79.23 142.8 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -109.31 135.86 49.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.1 mttt 41.05 89.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.723 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.08 111.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.427 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.0 mt -76.25 -17.49 59.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 6.3 mt-10 -128.45 85.94 59.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.4 Cg_endo -74.97 159.98 40.79 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.808 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -145.56 93.08 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.98 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.9 m-90 -87.87 -42.69 12.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 107.987 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.5 OUTLIER 38.47 36.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.748 ' O ' HG23 ' A' ' 26' ' ' THR . 2.9 mm-40 -83.02 -174.87 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.549 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 16.0 m -132.43 143.72 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.636 ' HB2' HG13 ' A' ' 25' ' ' VAL . 23.9 m-85 -143.93 117.15 8.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.9 mt -107.61 131.06 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.52 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 8.8 m-85 -122.14 112.26 17.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.496 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.27 160.69 41.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.496 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.1 Cg_endo -75.02 141.25 71.18 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.975 0.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.818 HG11 ' HB2' ' A' ' 23' ' ' LEU . 16.0 t -134.1 120.81 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.46 ' CD2' ' N ' ' A' ' 83' ' ' HIS . 2.5 m170 -102.0 160.89 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.625 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 49.4 tpt85 -68.85 -35.33 76.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -20.36 59.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.092 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.4 mm-40 -71.65 -33.47 68.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.522 ' CG ' ' HB3' ' A' ' 117' ' ' LEU . 6.2 m-30 -43.05 -34.78 1.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -62.74 -43.82 97.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 86' ' ' GLU . 33.1 mt-10 -98.56 6.92 46.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -129.84 117.69 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.476 ' HE2' HD13 ' A' ' 114' ' ' LEU . 2.8 ttt -129.07 145.99 51.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.832 HD11 HD21 ' A' ' 23' ' ' LEU . 8.9 mt -92.8 151.95 19.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.508 ' HG3' HD21 ' A' ' 114' ' ' LEU . 14.6 tt0 -140.34 98.91 3.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.696 ' N ' HD12 ' A' ' 94' ' ' ILE . 1.6 mp -100.76 144.85 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.523 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -146.19 136.66 23.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.546 HD13 HG22 ' A' ' 46' ' ' VAL . 20.8 tp -104.87 129.79 53.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.582 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -134.8 -178.22 4.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.045 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 3.1 t0 -132.52 125.85 31.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 111' ' ' GLY . 48.5 t80 . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.509 0.195 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.413 ' CD2' ' NH1' ' A' ' 42' ' ' ARG . 68.8 mt -88.69 -27.42 21.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.434 ' O ' ' CE1' ' A' ' 109' ' ' PHE . . . 166.65 -178.89 40.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.523 ' CB ' HG22 ' A' ' 95' ' ' THR . 1.7 pt-20 -138.38 137.89 37.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.458 HD11 ' HG ' ' A' ' 131' ' ' LEU . 25.3 mt -123.77 110.96 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.508 HD21 ' HG3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -104.22 132.51 50.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.559 HD12 HD13 ' A' ' 94' ' ' ILE . 4.2 mt -136.39 124.63 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 120' ' ' ALA . 18.1 mt-10 -92.19 115.29 27.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.57 HD21 HD12 ' A' ' 92' ' ' LEU . 26.3 mt -49.5 -30.35 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -56.43 -51.84 66.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.0 p -111.25 25.87 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 110.413 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.458 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -76.99 116.37 17.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -70.95 90.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.4 mt -96.64 116.97 30.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.98 23.73 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.517 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 27.2 t70 47.97 45.8 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.71 150.59 76.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.96 124.5 8.69 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.564 1.823 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 129' ' ' TYR . 0.3 OUTLIER -126.0 135.15 51.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.596 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 96.7 m95 -95.69 113.76 25.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 127' ' ' HIS . 75.2 m-85 -105.34 111.82 24.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.94 147.98 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.458 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -93.06 142.1 27.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -137.32 147.72 45.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.654 HD13 ' HB2' ' A' ' 30' ' ' ALA . 23.6 tp -128.53 142.47 51.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 m -103.24 115.88 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.22 123.08 61.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.645 ' CE ' HD21 ' A' ' 28' ' ' LEU . 7.0 ttmt -99.79 115.22 29.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.632 ' HB3' HD23 ' A' ' 122' ' ' LEU . 63.7 mt -108.42 148.78 29.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.434 ' CE3' ' HB3' ' A' ' 124' ' ' ASP . 37.0 t-105 -158.0 144.51 17.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 107.994 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.503 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 49.1 t80 -111.39 120.55 42.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -95.78 98.25 10.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -21.25 61.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.3 t -51.66 -71.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.27 3.9 58.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.9 m170 64.45 59.78 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.757 . . . . 0.0 109.6 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.1 150.74 49.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.596 ' HB2' HG11 ' A' ' 82' ' ' VAL . 13.0 tp -100.41 119.54 38.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.54 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.4 mp -93.02 109.51 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.42 HG22 ' CD2' ' A' ' 14' ' ' LEU . 65.0 t -115.87 113.2 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -114.51 121.86 44.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.379 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.975 HG22 ' CE3' ' A' ' 73' ' ' TRP . 51.1 mm -91.32 93.16 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.645 HD21 ' CE ' ' A' ' 13' ' ' LYS . 11.6 mt -58.1 -98.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.57 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.93 166.26 35.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.654 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -96.79 173.83 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.597 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.23 142.92 18.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 59.37 68.81 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 2.2 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -116.31 86.24 17.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 149.33 36.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.443 1.759 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 2.7 p90 -161.33 135.25 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.714 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 8.4 t -90.27 159.34 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.628 ' CD ' ' CE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -149.31 110.87 4.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.672 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.6 mt -91.83 154.59 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.628 ' CE2' ' CD ' ' A' ' 47' ' ' LYS . 1.1 m-85 -154.68 98.68 2.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.477 ' CE2' ' HG2' ' A' ' 90' ' ' ARG . 26.4 t80 -68.3 96.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 49' ' ' TYR . 4.4 mp . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.548 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 25.9 mmt180 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 62' ' ' THR . 17.4 ttm180 -131.77 138.68 48.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.423 HG21 ' HB ' ' A' ' 27' ' ' ILE . 69.8 p -81.45 165.2 21.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.58 144.22 48.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.4 m -80.65 112.37 17.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.359 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.775 HG11 HG21 ' A' ' 68' ' ' THR . 1.4 t -79.55 144.88 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -116.93 129.41 56.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt 50.78 87.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.775 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -177.69 113.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.42 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 54.2 mt -74.93 -19.46 60.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.44 ' HG3' ' HA ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -129.41 88.67 49.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -74.98 147.73 34.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -133.07 94.73 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.975 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.9 m-90 -88.38 -42.67 12.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 108.058 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER 38.31 37.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 26' ' ' THR . 2.4 mm100 -88.31 179.81 6.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.258 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -131.91 149.16 52.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.548 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 31.8 m-85 -146.44 113.6 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.7 mt -96.54 125.12 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.524 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.1 m-85 -119.18 112.55 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.521 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.35 161.4 38.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.521 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.0 141.51 71.98 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.994 0.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.596 HG11 ' HB2' ' A' ' 23' ' ' LEU . 9.6 t -131.9 110.68 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.487 ' CD2' ' N ' ' A' ' 83' ' ' HIS . 2.5 m170 -90.72 163.03 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.627 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.503 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 9.6 tpt180 -74.37 -30.5 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -16.78 39.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.0 OUTLIER -77.6 -8.84 58.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.465 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 5.4 m-30 -60.3 -55.34 34.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -61.51 -14.73 31.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -102.23 -15.94 16.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.477 ' HG2' ' CE2' ' A' ' 50' ' ' PHE . 2.8 mpt_? -134.16 118.28 17.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.484 ' HE2' HD13 ' A' ' 114' ' ' LEU . 3.2 ttt -115.66 147.89 40.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.576 HD12 HD21 ' A' ' 117' ' ' LEU . 10.5 mt -92.44 152.18 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.461 ' HG3' HD21 ' A' ' 114' ' ' LEU . 13.1 tt0 -145.0 93.13 2.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 94' ' ' ILE . 2.8 mp -92.13 147.63 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.508 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -147.25 137.2 23.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.582 HD13 HG22 ' A' ' 46' ' ' VAL . 23.0 tp -103.84 132.83 49.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.579 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -139.54 170.6 15.62 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -121.7 120.07 33.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.569 ' CE1' ' O ' ' A' ' 111' ' ' GLY . 66.5 t80 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.498 0.19 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 68.5 mt -76.17 -31.66 58.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.569 ' O ' ' CE1' ' A' ' 109' ' ' PHE . . . 170.04 -167.87 40.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.508 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.7 pt-20 -145.45 144.34 30.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.52 HG13 HD23 ' A' ' 131' ' ' LEU . 80.4 mt -128.72 108.76 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.484 HD13 ' HE2' ' A' ' 91' ' ' MET . 0.1 OUTLIER -102.24 131.05 49.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.248 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.452 HD12 HD13 ' A' ' 94' ' ' ILE . 3.9 mt -136.94 123.95 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -91.17 108.89 20.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.576 HD21 HD12 ' A' ' 92' ' ' LEU . 11.9 mt -43.27 -33.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -54.18 -51.64 63.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.3 p -110.3 29.19 7.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -83.35 113.07 20.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -67.84 93.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.632 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.2 mt -97.27 117.93 32.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.401 ' CB ' ' OE2' ' A' ' 125' ' ' GLU . 0.2 OUTLIER -158.17 26.0 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.434 ' HB3' ' CE3' ' A' ' 15' ' ' TRP . 5.7 p-10 44.93 51.65 8.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 125' ' ' GLU . 0.2 OUTLIER -133.61 146.51 60.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.288 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.487 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 122.07 6.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 129' ' ' TYR . 0.4 OUTLIER -121.24 142.64 49.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.597 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 80.2 m95 -97.68 105.83 18.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 107.998 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 127' ' ' HIS . 47.6 m-85 -98.83 122.35 41.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -68.95 141.23 55.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.52 HD23 HG13 ' A' ' 113' ' ' ILE . 1.6 mt -82.91 148.94 27.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -141.95 140.51 32.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.497 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -124.33 143.85 50.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.596 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 33.3 m -112.24 114.84 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.497 HD11 HD13 ' A' ' 10' ' ' LEU . 4.5 mt -125.63 128.23 72.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.665 ' CE ' HD21 ' A' ' 28' ' ' LEU . 4.3 ttmt -104.98 114.83 29.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.464 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 16.0 mt -108.08 153.29 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -158.28 152.2 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 108.027 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.632 ' HB2' HD13 ' A' ' 122' ' ' LEU . 32.1 t80 -121.03 119.88 33.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -95.45 91.16 6.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -19.98 66.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.1 t -54.92 -71.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.65 3.45 61.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 63.89 55.08 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.605 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.51 ' HB3' HG23 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -119.62 135.11 54.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.731 ' HB2' HG11 ' A' ' 82' ' ' VAL . 23.8 tp -89.4 119.15 29.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.4 mp -95.46 145.85 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' A' ' 77' ' ' PHE . 0.8 OUTLIER -160.51 97.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -95.71 126.22 40.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.422 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.765 HG22 ' CE3' ' A' ' 73' ' ' TRP . 40.1 mm -87.95 93.55 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.665 HD21 ' CE ' ' A' ' 13' ' ' LYS . 15.6 mt -56.35 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.583 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -159.63 170.43 35.85 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 70' ' ' GLU . . . -111.59 162.09 15.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.585 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -144.73 157.38 44.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.03 73.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.962 HD22 ' O ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.568 ' NH1' HD21 ' A' ' 110' ' ' LEU . 3.7 ptp180 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 2.3 m-20 -112.35 94.94 29.01 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.17 31.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.464 1.771 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.4 p90 -177.5 124.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.741 HG22 HD13 ' A' ' 96' ' ' LEU . 7.9 t -83.93 158.55 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.539 ' CD ' ' CE2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -148.84 108.27 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.656 HD11 HG13 ' A' ' 27' ' ' ILE . 2.2 mt -92.0 159.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.539 ' CE2' ' CD ' ' A' ' 47' ' ' LYS . 1.5 m-85 -154.34 98.77 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.559 ' CZ ' ' HD2' ' A' ' 90' ' ' ARG . 47.7 t80 -68.56 89.67 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -131.6 135.79 47.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.338 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.441 HG21 HG21 ' A' ' 27' ' ' ILE . 77.2 p -84.47 163.0 19.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -59.46 143.23 50.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -80.26 109.76 15.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.721 HG11 HG21 ' A' ' 68' ' ' THR . 1.1 t -79.75 141.61 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HD3' ' ND2' ' A' ' 43' ' ' ASN . 5.0 mmtp -113.4 134.4 54.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? 47.66 85.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.26 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.721 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.78 114.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.962 ' O ' HD22 ' A' ' 33' ' ' LEU . 30.0 mt -78.87 -17.82 54.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 3.5 mt-10 -126.43 83.59 64.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.6 Cg_endo -74.96 146.21 32.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.431 1.753 . . . . 0.0 111.005 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -130.75 98.71 4.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.765 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.6 m-90 -91.91 -44.82 8.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 108.002 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.7 OUTLIER 40.27 37.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.849 ' O ' HG23 ' A' ' 26' ' ' THR . 2.5 mm100 -84.81 -177.67 6.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.443 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 2.2 m -130.9 146.75 52.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' HB2' HG13 ' A' ' 25' ' ' VAL . 30.4 m-85 -148.55 121.41 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.51 HG23 ' HB3' ' A' ' 22' ' ' GLN . 5.8 mt -108.94 144.48 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.529 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.1 m-85 -135.71 109.01 7.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.491 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.32 160.57 41.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.964 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -74.97 142.02 73.51 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.059 -0.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.731 HG11 ' HB2' ' A' ' 23' ' ' LEU . 14.0 t -133.76 112.31 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.85 170.04 11.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.624 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.545 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 8.4 tpt180 -80.55 -32.49 36.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -11.18 59.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.17 -5.35 57.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 90' ' ' ARG . 4.6 m-30 -63.77 -51.4 65.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -66.25 -15.11 62.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -99.16 -19.91 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.559 ' HD2' ' CZ ' ' A' ' 50' ' ' PHE . 22.7 mtt85 -128.13 120.96 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.561 ' HE3' ' HG2' ' A' ' 116' ' ' GLU . 3.1 ttt -119.09 149.96 40.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.516 HD11 HD21 ' A' ' 23' ' ' LEU . 10.5 mt -92.3 153.52 19.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.569 ' HG3' HD21 ' A' ' 114' ' ' LEU . 10.6 tt0 -141.21 96.44 2.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.575 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.2 mp -96.58 140.57 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.583 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.6 OUTLIER -143.5 142.29 31.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.741 HD13 HG22 ' A' ' 46' ' ' VAL . 21.1 tp -111.78 142.33 44.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.581 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -145.94 -167.27 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 108.012 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -145.24 119.1 9.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.527 ' CZ ' ' C ' ' A' ' 111' ' ' GLY . 75.5 t80 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.477 0.18 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.568 HD21 ' NH1' ' A' ' 42' ' ' ARG . 84.0 mt -94.45 -38.4 10.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.527 ' C ' ' CZ ' ' A' ' 109' ' ' PHE . . . 175.56 -177.93 47.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.583 ' CB ' HG22 ' A' ' 95' ' ' THR . 1.5 pt-20 -144.67 131.4 20.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.486 HD11 ' HG ' ' A' ' 131' ' ' LEU . 34.6 mt -117.01 102.66 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.569 HD21 ' HG3' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -95.98 132.19 41.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.484 HD12 HD13 ' A' ' 94' ' ' ILE . 3.8 mt -137.51 136.1 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.561 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 3.4 mt-10 -103.86 123.38 47.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.514 HD13 HD22 ' A' ' 23' ' ' LEU . 11.9 mt -51.18 -29.17 13.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -50.82 -52.29 42.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.9 p -120.2 31.53 6.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.45 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -72.31 140.6 48.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.98 89.24 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 16' ' ' PHE . 5.5 mt -104.05 107.26 18.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 124' ' ' ASP . 2.0 t0 -173.18 34.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 123' ' ' ASP . 19.6 t0 39.12 48.39 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 4.7 mt-10 -126.95 129.15 24.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 110.233 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.588 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 123.13 7.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -126.13 132.64 51.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.596 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 90.0 m95 -81.81 105.69 13.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 107.978 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -92.02 132.45 36.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -71.85 141.71 49.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.486 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -90.59 140.21 29.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -129.12 138.65 51.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.552 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -117.14 138.72 51.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.58 ' OG ' ' CH2' ' A' ' 128' ' ' TRP . 31.1 m -101.28 113.09 25.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.552 HD11 HD13 ' A' ' 10' ' ' LEU . 7.1 mt -126.14 124.52 66.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.629 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.6 ttmt -104.39 116.46 32.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.691 ' CD2' HG22 ' A' ' 25' ' ' VAL . 21.4 mt -109.72 153.6 24.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 19.1 t-105 -158.45 154.7 27.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.004 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.551 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 37.8 t80 -119.99 120.89 37.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.16 86.79 3.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -18.71 58.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.097 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.0 t -55.15 -69.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.66 4.93 61.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.0 m80 59.61 60.15 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.628 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.506 ' CB ' HG23 ' A' ' 78' ' ' ILE . 1.2 mt-30 -129.92 153.84 47.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HB2' HG11 ' A' ' 82' ' ' VAL . 11.7 tp -101.89 115.89 31.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.513 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.6 mp -89.84 101.63 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.691 HG22 ' CD2' ' A' ' 14' ' ' LEU . 39.7 t -107.77 106.14 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -103.09 123.3 46.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.374 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.879 HG22 ' CE3' ' A' ' 73' ' ' TRP . 42.4 mm -94.4 91.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.629 HD21 ' CE ' ' A' ' 13' ' ' LYS . 15.0 mt -55.15 -100.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.579 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -159.73 165.91 34.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.49 155.75 18.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.556 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -145.12 165.49 28.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 52.29 54.26 11.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 98' ' ' ASP . 70.0 m-20 -120.34 78.86 27.56 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.437 ' HG2' ' HG3' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -74.98 153.1 41.63 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.619 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 1.5 p90 -175.68 120.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.584 HG23 ' CH2' ' A' ' 73' ' ' TRP . 3.1 t -79.67 157.91 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 61' ' ' ARG . 2.9 ttmm -146.2 111.74 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.802 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.3 mt -90.62 134.24 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.403 ' CD2' ' HD2' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -138.07 98.13 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.441 ' CZ ' HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -73.72 125.5 28.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.411 ' HB3' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -123.17 162.3 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.544 HG21 ' CG2' ' A' ' 27' ' ' ILE . 45.3 p -82.87 164.3 20.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -59.31 146.48 39.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -81.02 115.14 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.437 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -91.47 135.58 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -113.68 136.03 53.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt 59.87 73.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.481 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.8 OUTLIER -176.8 114.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.559 ' O ' HD22 ' A' ' 33' ' ' LEU . 39.1 mt -81.39 -18.69 44.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.45 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.6 mt-10 -127.28 84.48 63.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.543 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.96 160.52 40.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -141.96 90.91 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.879 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.4 m-90 -84.58 -40.43 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 107.94 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.3 OUTLIER 36.97 34.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' TRP . 1.9 mm100 -86.82 -179.53 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 m -132.9 148.19 52.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -140.52 113.05 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.506 HG23 ' CB ' ' A' ' 22' ' ' GLN . 58.8 mt -95.35 111.92 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.468 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.4 OUTLIER -107.6 112.84 25.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.547 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -145.53 162.72 35.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.547 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.01 142.06 73.62 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.003 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.555 HG11 ' HB2' ' A' ' 23' ' ' LEU . 24.3 t -136.81 105.29 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -91.03 165.19 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.562 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.551 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 9.6 tpt180 -78.8 -22.5 46.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.36 -1.42 55.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -102.01 -11.57 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.461 ' CE2' ' HD2' ' A' ' 84' ' ' ARG . 4.4 m-30 -60.39 -39.44 87.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -84.54 4.56 31.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.46 ' O ' ' NE ' ' A' ' 90' ' ' ARG . 32.8 mt-10 -124.35 4.61 8.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 0.3 OUTLIER -151.66 154.49 36.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 2.2 ttt -143.51 148.95 36.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.549 HD12 HD21 ' A' ' 117' ' ' LEU . 6.4 mt -93.01 148.63 21.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.418 ' HG3' HD21 ' A' ' 114' ' ' LEU . 12.2 tt0 -133.61 98.55 4.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.704 ' N ' HD12 ' A' ' 94' ' ' ILE . 2.2 mp -101.82 146.09 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.571 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -144.61 152.63 40.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.584 HD13 HG22 ' A' ' 46' ' ' VAL . 31.2 tp -116.25 130.74 56.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.567 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -133.96 169.36 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.01 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' ASN . 2.0 t0 -124.02 102.16 7.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 97' ' ' TRP . 13.2 t80 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.514 0.197 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.0 mt -94.07 -57.43 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -159.36 176.57 36.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.571 ' CB ' HG22 ' A' ' 95' ' ' THR . 0.4 OUTLIER -135.71 144.78 46.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.564 HD11 ' HG ' ' A' ' 131' ' ' LEU . 17.0 mt -129.54 112.01 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.465 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -103.04 131.64 49.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.3 mt -136.62 125.06 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 120' ' ' ALA . 18.4 mt-10 -88.26 123.17 32.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.549 HD21 HD12 ' A' ' 92' ' ' LEU . 15.0 mt -53.0 -31.15 39.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.4 -50.79 71.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.3 p -102.68 22.24 14.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.449 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -74.11 102.5 4.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -64.78 87.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.2 mt -90.93 120.59 32.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -157.97 26.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.562 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 53.0 t0 41.32 39.66 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.64 149.34 64.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.485 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 124.32 8.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -126.1 131.17 52.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.608 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.58 ' CH2' ' OG ' ' A' ' 11' ' ' SER . 96.8 m95 -88.02 117.45 26.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 107.984 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.438 ' OH ' HD11 ' A' ' 121' ' ' LEU . 66.9 m-85 -107.45 115.25 29.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -58.05 142.23 47.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.564 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.9 OUTLIER -93.35 146.87 23.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.245 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -147.37 128.75 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.588 ' HB2' HD11 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -117.98 141.69 48.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.473 ' H ' HD23 ' A' ' 10' ' ' LEU . 66.1 m -105.42 111.17 23.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.483 HD11 HD13 ' A' ' 10' ' ' LEU . 5.2 mt -123.69 122.1 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.504 ' HE2' HD21 ' A' ' 28' ' ' LEU . 3.3 ttmt -103.96 114.83 29.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.629 ' CB ' HD23 ' A' ' 122' ' ' LEU . 12.2 mt -107.2 155.07 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.442 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 10.6 t-105 -157.29 147.4 20.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.408 ' HE1' HG12 ' A' ' 82' ' ' VAL . 46.8 t80 -117.26 128.09 54.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -106.04 91.69 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -20.35 66.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.0 t -50.53 -68.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.54 8.11 47.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.9 m80 60.62 53.31 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.573 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.412 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -121.74 118.9 30.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.919 ' HB2' HG11 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -76.52 126.89 31.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.863 ' N ' HD22 ' A' ' 23' ' ' LEU . 1.7 mp -99.21 131.18 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.787 HG23 ' CD1' ' A' ' 23' ' ' LEU . 48.2 t -130.58 119.96 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.34 129.1 54.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.394 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.948 HG13 HD11 ' A' ' 48' ' ' ILE . 48.1 mm -101.51 88.43 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 126' ' ' PRO . 12.1 mt -52.1 -99.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.566 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.59 171.55 35.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.27 155.64 21.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.561 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -143.83 161.63 38.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 58.75 59.89 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.557 ' HG ' HD13 ' A' ' 110' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.512 ' NH1' HD21 ' A' ' 110' ' ' LEU . 2.4 ptp180 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -117.2 86.03 20.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 138.84 23.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.7 p90 -150.98 131.88 14.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.597 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 13.0 t -83.65 163.1 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 4.2 ttpt -147.81 109.53 4.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.948 HD11 HG13 ' A' ' 27' ' ' ILE . 3.3 mt -90.65 152.07 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.618 ' O ' HD13 ' A' ' 51' ' ' LEU . 6.6 m-85 -151.77 98.48 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -67.31 92.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 49' ' ' TYR . 4.5 mp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.591 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 62' ' ' THR . 13.6 ttp180 -139.73 142.7 36.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 61' ' ' ARG . 59.9 p -81.22 162.82 23.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -57.28 141.77 45.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.9 m -80.09 111.06 16.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.405 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.786 HG11 HG21 ' A' ' 68' ' ' THR . 1.5 t -74.03 149.33 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -112.8 118.69 35.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt 50.19 97.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.786 HG21 HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -177.99 110.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.445 ' O ' HD22 ' A' ' 33' ' ' LEU . 2.1 mp -67.51 -23.35 65.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 4.5 mt-10 -128.11 90.67 46.7 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.576 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -75.01 145.21 31.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -131.49 96.32 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.682 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.4 m-90 -91.19 -47.9 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.019 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' ILE . 2.7 m120 40.4 48.63 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -93.47 179.46 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.6 m -125.65 146.37 49.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.432 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.591 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 59.2 m-85 -149.46 113.39 5.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.459 ' CG1' HG13 ' A' ' 24' ' ' ILE . 6.8 mt -103.07 140.61 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 59.3 m-85 -136.13 117.68 14.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.482 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -147.13 158.9 43.93 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.092 . . . . 0.0 110.021 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -74.95 142.08 73.69 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.026 -0.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.919 HG11 ' HB2' ' A' ' 23' ' ' LEU . 19.6 t -134.47 113.82 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -104.7 166.77 10.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -68.57 -50.47 51.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -12.25 28.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.5 mm-40 -84.72 -22.62 29.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.461 ' HB3' ' N ' ' A' ' 118' ' ' GLU . 11.1 m-30 -52.85 -55.87 19.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -15.77 13.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -102.34 -15.54 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -138.73 119.19 13.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.48 ' CG ' ' N ' ' A' ' 92' ' ' LEU . 1.2 ttt -117.31 158.1 24.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.576 ' CD1' HD21 ' A' ' 117' ' ' LEU . 37.7 mt -96.72 148.55 22.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -135.66 91.78 2.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.609 HD13 HD12 ' A' ' 115' ' ' ILE . 3.4 mp -94.09 131.29 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.632 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -135.36 144.74 46.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.901 HD13 ' N ' ' A' ' 97' ' ' TRP . 0.7 OUTLIER -105.76 142.48 35.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.901 ' N ' HD13 ' A' ' 96' ' ' LEU . 1.1 m95 -149.63 144.23 26.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 108.005 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 1.0 OUTLIER -105.83 109.13 20.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.599 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 65.0 t80 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.514 0.197 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.659 HD12 ' CD1' ' A' ' 96' ' ' LEU . 54.1 mt -87.78 -16.89 32.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.599 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 150.65 169.22 16.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.632 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.7 pt-20 -124.54 136.21 53.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.588 HD11 ' HB2' ' A' ' 10' ' ' LEU . 59.2 mt -118.09 104.85 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -93.58 134.63 35.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.609 HD12 HD13 ' A' ' 94' ' ' ILE . 4.8 mt -136.89 118.88 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.47 ' CG ' ' HE3' ' A' ' 91' ' ' MET . 41.8 mt-10 -87.64 115.29 24.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.576 HD21 ' CD1' ' A' ' 92' ' ' LEU . 17.2 mt -48.99 -29.78 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.461 ' N ' ' HB3' ' A' ' 87' ' ' PHE . 7.1 tt0 -51.49 -53.79 33.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 8.4 p -118.04 30.95 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.437 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -71.9 140.88 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.2 mt -79.44 89.45 5.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.629 HD23 ' CB ' ' A' ' 14' ' ' LEU . 5.0 mt -101.99 111.34 23.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 124' ' ' ASP . 2.7 t0 -177.07 36.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.442 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 5.5 t0 39.25 33.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 10.7 mt-10 -108.89 127.73 26.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.507 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.96 124.02 8.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -125.72 147.09 49.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.613 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.561 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 93.6 m95 -97.73 107.73 20.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 107.977 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -101.15 104.64 15.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -50.74 151.93 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.693 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -91.94 157.53 16.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 12.1 pt20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.413 ' HG2' ' CG ' ' A' ' 130' ' ' LYS . 33.6 mt-30 -147.11 124.36 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.864 HD13 ' HB2' ' A' ' 30' ' ' ALA . 33.9 tp -114.56 141.33 47.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 128' ' ' TRP . 3.9 t -103.09 120.72 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mt -129.75 130.16 66.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.574 ' CE ' HD21 ' A' ' 28' ' ' LEU . 3.1 ttmt -106.77 115.38 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.605 ' CB ' HD23 ' A' ' 122' ' ' LEU . 12.7 mt -110.26 152.93 25.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.77 ' O ' HD22 ' A' ' 23' ' ' LEU . 9.0 t-105 -158.31 159.22 35.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.535 ' HB2' HD13 ' A' ' 122' ' ' LEU . 54.2 t80 -125.98 128.31 47.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.406 ' HB3' ' OE1' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -113.59 88.67 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -20.6 63.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.0 t -52.92 -74.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.533 ' CA ' ' OE1' ' A' ' 22' ' ' GLN . . . -88.99 2.45 84.06 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 61.66 39.13 14.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.536 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -118.83 119.35 34.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.933 HD13 ' C ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.29 142.27 48.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.138 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.75 HD12 ' C ' ' A' ' 23' ' ' LEU . 1.5 mp -111.17 129.32 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.739 HG12 ' CD1' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -145.93 99.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.83 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -97.82 137.3 36.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.912 HG13 HD11 ' A' ' 48' ' ' ILE . 46.0 mm -98.26 93.31 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.691 HD11 ' HB3' ' A' ' 126' ' ' PRO . 16.2 mt -56.69 -100.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.561 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.92 172.05 35.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.864 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -105.78 170.61 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -160.34 158.5 29.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 54.37 37.29 27.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.863 HD21 HD21 ' A' ' 96' ' ' LEU . 3.2 mp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.751 ' NH2' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -122.83 85.87 50.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HG3' ' NH2' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -75.0 156.43 43.0 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.7 p90 -161.13 130.97 4.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.77 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 4.9 t -87.36 155.8 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -147.0 109.55 4.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.912 HD11 HG13 ' A' ' 27' ' ' ILE . 3.5 mt -91.5 149.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.02 102.2 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.643 ' CE1' HD11 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -72.38 102.76 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.584 ' HG2' ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 62' ' ' THR . 6.9 ttm180 -138.43 142.21 39.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 110.331 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.413 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 28.1 p -81.93 160.05 23.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.98 144.62 44.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.9 m -80.53 109.32 14.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.695 HG11 HG21 ' A' ' 68' ' ' THR . 1.4 t -76.69 146.19 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -113.56 132.93 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt 44.22 90.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.695 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -179.16 111.97 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.7 mp -74.03 -19.1 60.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.446 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.8 mt-10 -129.31 89.3 48.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.591 ' HD2' ' HB3' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -74.98 149.9 37.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -135.0 94.43 3.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.834 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.3 m-90 -89.24 -41.26 12.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 107.987 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.7 OUTLIER 38.31 36.48 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.83 ' O ' HG23 ' A' ' 26' ' ' THR . 2.0 mm100 -85.27 174.18 9.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.464 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 5.8 m -123.22 147.63 46.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.584 ' CE1' ' HG2' ' A' ' 60' ' ' ARG . 28.2 m-85 -146.35 113.21 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.495 HG23 ' CB ' ' A' ' 22' ' ' GLN . 11.1 mt -102.35 138.19 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.598 ' HD2' HD12 ' A' ' 23' ' ' LEU . 44.6 m-85 -132.76 120.35 21.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.97 157.58 46.4 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -74.96 138.76 57.92 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.042 -0.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.838 HG11 ' HB2' ' A' ' 23' ' ' LEU . 19.7 t -133.27 108.96 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -103.0 168.67 9.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.617 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -80.33 -14.1 58.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.282 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -6.29 49.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.63 -36.67 14.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.245 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.514 ' CG ' ' HB3' ' A' ' 117' ' ' LEU . 11.9 m-30 -38.12 -52.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -42.32 -48.48 5.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -103.39 26.04 8.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -151.01 114.76 4.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -125.55 149.76 48.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.827 HD12 HD21 ' A' ' 117' ' ' LEU . 9.1 mt -95.04 146.95 23.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.436 ' HG3' HD21 ' A' ' 114' ' ' LEU . 9.4 tt0 -130.09 108.38 10.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.633 ' N ' HD12 ' A' ' 94' ' ' ILE . 3.0 mp -108.0 137.94 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.674 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -138.56 146.14 41.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.863 HD21 HD21 ' A' ' 33' ' ' LEU . 19.2 tp -117.92 134.61 54.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -139.19 163.43 32.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 107.987 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.31 107.65 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.31 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 87.9 t80 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.53 0.205 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.3 mt -68.99 -20.55 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 149.34 -172.35 29.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.674 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.3 pt-20 -144.63 134.71 24.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.79 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.625 HD11 ' CD2' ' A' ' 131' ' ' LEU . 48.6 mt -116.23 114.8 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.462 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.2 OUTLIER -105.89 136.09 46.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.474 HD12 HD13 ' A' ' 94' ' ' ILE . 3.9 mt -137.37 125.47 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 120' ' ' ALA . 25.4 mt-10 -88.61 120.7 30.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.827 HD21 HD12 ' A' ' 92' ' ' LEU . 11.5 mt -55.87 -29.12 59.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.45 ' N ' ' HB3' ' A' ' 87' ' ' PHE . 2.7 tt0 -55.92 -52.47 64.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.7 p -112.92 26.68 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -72.17 140.93 49.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 98.7 mt -83.88 90.31 7.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.605 HD23 ' CB ' ' A' ' 14' ' ' LEU . 10.5 mt -102.53 103.1 13.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -161.78 31.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.0 t0 47.34 27.68 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -105.82 121.78 44.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.691 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 125.23 9.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -119.4 173.56 6.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.569 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 88.7 m95 -121.6 107.36 12.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 108.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -100.34 115.53 30.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 13.4 mtmt -63.64 156.72 25.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.674 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -92.13 161.47 14.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -131.36 139.12 49.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 0.729 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.529 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -122.46 141.32 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.505 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 79.0 p -110.49 115.72 30.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.529 HD11 HD13 ' A' ' 10' ' ' LEU . 6.2 mt -126.71 129.02 71.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.65 ' CE ' HD21 ' A' ' 28' ' ' LEU . 4.1 ttmt -104.33 121.98 44.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 14.9 mt -114.36 153.29 30.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -158.3 150.88 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 12.1 t80 -115.55 127.73 55.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.4 81.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.68 -18.34 30.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.56 -72.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.42 9.06 64.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.7 m80 59.64 63.3 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.631 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.71 143.33 49.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.855 ' HB2' HG11 ' A' ' 82' ' ' VAL . 20.2 tp -96.09 117.61 31.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.597 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.4 mp -93.03 124.76 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -136.42 107.85 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.873 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.2 m -105.19 122.77 46.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.819 HG13 HD11 ' A' ' 48' ' ' ILE . 44.5 mm -86.38 96.68 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.65 HD21 ' CE ' ' A' ' 13' ' ' LYS . 15.8 mt -59.05 -100.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.575 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -161.0 161.04 32.58 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 70' ' ' GLU . . . -98.64 159.58 14.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.53 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -155.3 164.44 38.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 59.53 27.49 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.506 HH12 HD22 ' A' ' 110' ' ' LEU . 1.4 ptp180 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -120.57 88.37 42.93 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.76 42.88 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.773 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 19.3 p90 -167.36 123.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.718 HG22 HD13 ' A' ' 96' ' ' LEU . 4.4 t -81.09 154.09 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -144.13 110.81 5.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.819 HD11 HG13 ' A' ' 27' ' ' ILE . 3.3 mt -92.0 157.95 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.543 ' CE2' ' HD2' ' A' ' 47' ' ' LYS . 6.0 m-85 -154.71 99.19 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CD1' HD21 ' A' ' 92' ' ' LEU . 42.6 t80 -66.25 87.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.453 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 19.3 mmt180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 18.8 ttp-105 -135.06 140.71 45.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.495 HG21 HG21 ' A' ' 27' ' ' ILE . 41.4 p -82.76 170.85 14.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -69.96 144.51 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.9 m -80.11 112.98 17.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.753 HG11 HG21 ' A' ' 68' ' ' THR . 1.4 t -79.22 152.27 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 67' ' ' LYS . 12.8 mmtt -113.11 126.09 55.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 66' ' ' LYS . 3.0 mttp 44.33 93.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.753 HG21 HG11 ' A' ' 65' ' ' VAL . 1.4 t -176.47 117.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.602 ' O ' HD22 ' A' ' 33' ' ' LEU . 2.8 mt -78.75 -20.26 50.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 7.7 mt-10 -126.29 83.73 63.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.554 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.5 Cg_endo -74.98 133.34 16.5 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.555 1.818 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -117.41 99.17 6.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.745 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.8 m-90 -92.24 -42.4 9.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 108.038 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.4 OUTLIER 38.02 36.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.873 ' O ' HG23 ' A' ' 26' ' ' THR . 2.1 mm100 -85.69 173.81 9.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.413 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 1.4 m -125.71 145.81 50.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.453 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 35.7 m-85 -146.71 114.32 6.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.8 mt -98.09 136.84 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.504 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.2 m-85 -126.63 111.83 14.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.506 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -146.1 160.95 41.45 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.5 Cg_endo -74.96 141.14 70.89 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.051 -2.479 . . . . 0.0 111.016 -0.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.855 HG11 ' HB2' ' A' ' 23' ' ' LEU . 19.9 t -135.17 115.49 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -99.77 156.32 17.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.583 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.475 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 3.9 tpt180 -70.31 -20.55 63.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.407 ' NE ' ' HG2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -87.72 -12.01 46.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.407 ' HG2' ' NE ' ' A' ' 85' ' ' ARG . 1.6 mm-40 -91.91 -3.86 55.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -64.02 -42.64 97.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.33 1.81 20.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -122.08 -0.65 9.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.74 132.43 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.694 ' CE ' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -129.15 154.97 46.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.97 HD23 HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -95.37 153.13 17.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.641 ' HG3' HD11 ' A' ' 114' ' ' LEU . 12.9 tt0 -138.41 91.98 2.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.413 HD12 ' H ' ' A' ' 94' ' ' ILE . 4.4 mp -86.8 139.5 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.662 HG22 ' HB2' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -133.09 144.62 50.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.41 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.718 HD13 HG22 ' A' ' 46' ' ' VAL . 24.3 tp -122.58 132.41 54.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.583 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -140.3 -179.14 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 107.971 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -131.64 114.94 15.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 75.1 t80 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.495 0.188 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.506 HD22 HH12 ' A' ' 42' ' ' ARG . 16.7 mt -68.99 -31.21 69.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 143.84 152.33 5.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.662 ' HB2' HG22 ' A' ' 95' ' ' THR . 1.1 pt-20 -114.48 151.21 33.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.62 HD11 ' HG ' ' A' ' 131' ' ' LEU . 76.4 mt -121.04 101.39 10.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.694 HD23 ' CE ' ' A' ' 91' ' ' MET . 1.3 mp -91.54 146.96 23.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.562 HD11 HG22 ' A' ' 113' ' ' ILE . 2.0 mp -142.64 139.52 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.404 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 14.6 mt-10 -100.15 108.83 21.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.97 HD21 HD23 ' A' ' 92' ' ' LEU . 7.8 mt -45.98 -30.15 1.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -59.9 -45.68 91.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.5 p -112.21 22.36 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -78.39 117.06 19.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -74.82 86.9 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.91 125.98 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.9 t0 177.85 38.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.5 t70 40.41 39.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -111.35 120.65 42.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.636 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.07 122.45 7.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -126.36 142.69 51.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.53 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 96.2 m95 -92.18 106.9 18.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.401 ' HB2' HD13 ' A' ' 113' ' ' ILE . 53.3 m-85 -95.69 134.07 39.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.032 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -75.26 144.05 42.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.62 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -91.25 150.46 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -148.2 123.73 10.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.513 HD23 ' H ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -110.52 136.55 49.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.569 ' OG ' ' CE3' ' A' ' 128' ' ' TRP . 37.6 m -99.88 120.87 40.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.473 HD11 HD13 ' A' ' 10' ' ' LEU . 5.4 mt -131.62 125.24 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.639 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.6 ttmt -101.27 114.4 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.454 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 15.9 mt -107.74 154.85 20.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.49 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 29.7 t-105 -158.66 159.82 35.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 107.981 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.94 ' HB2' HD13 ' A' ' 122' ' ' LEU . 32.2 t80 -125.61 120.41 30.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -100.31 82.89 2.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -18.52 45.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.5 t -52.78 -65.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.96 5.56 42.64 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 63.52 59.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.586 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.55 139.47 52.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.789 ' HB2' HG11 ' A' ' 82' ' ' VAL . 25.8 tp -91.13 118.36 30.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.504 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.6 mp -93.4 131.88 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -145.6 105.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.925 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.1 m -103.04 122.23 44.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.87 HG13 HD11 ' A' ' 48' ' ' ILE . 36.9 mm -85.81 100.35 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.639 HD21 ' CE ' ' A' ' 13' ' ' LYS . 12.8 mt -64.79 -99.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.459 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -154.11 171.82 32.73 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.495 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -112.12 159.11 18.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.554 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -151.36 169.82 21.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 62.96 25.72 15.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 69' ' ' LEU . 24.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.406 ' NH1' ' OD2' ' A' ' 98' ' ' ASP . 4.9 ptp180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -116.66 81.46 11.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.8 32.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.458 1.767 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.5 p90 -175.47 135.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.78 HG22 HD13 ' A' ' 96' ' ' LEU . 3.3 t -92.14 160.48 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -149.66 105.07 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.87 HD11 HG13 ' A' ' 27' ' ' ILE . 2.3 mt -92.4 150.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.557 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -154.99 98.07 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.505 ' CE1' HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -58.68 109.23 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 49' ' ' TYR . 3.8 mp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -126.89 136.32 52.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.415 HG22 ' CE2' ' A' ' 77' ' ' PHE . 81.1 p -81.92 166.68 19.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.09 145.19 43.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.7 m -81.16 110.31 16.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.757 HG11 HG21 ' A' ' 68' ' ' THR . 1.5 t -77.67 149.09 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -122.86 128.3 50.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt 53.85 85.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.757 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.52 113.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.358 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.57 ' O ' HD12 ' A' ' 33' ' ' LEU . 5.4 mp -71.61 -22.3 61.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 4.7 mt-10 -130.18 92.59 35.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.628 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.2 Cg_endo -75.03 147.53 33.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HG3' ' C ' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -127.2 95.07 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.845 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.8 m-90 -88.87 -45.79 9.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 108.023 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER 40.48 33.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.925 ' O ' HG23 ' A' ' 26' ' ' THR . 0.6 OUTLIER -83.38 -177.28 6.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.9 m -132.82 139.25 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.461 ' O ' HG13 ' A' ' 25' ' ' VAL . 41.2 m-85 -140.64 116.2 10.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.6 mt -101.85 146.69 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.532 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.3 m-85 -136.55 110.52 8.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.488 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.62 160.52 41.14 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -74.97 141.51 71.99 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.979 0.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.789 HG11 ' HB2' ' A' ' 23' ' ' LEU . 6.7 t -131.55 119.35 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -102.19 168.23 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.576 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -84.23 -19.92 33.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.367 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.35 -3.99 58.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.11 -29.18 13.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 6.8 m-30 -44.42 -55.12 5.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -45.35 -53.78 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -89.99 29.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.458 ' C ' HD13 ' A' ' 117' ' ' LEU . 2.5 mtt180 -142.54 142.07 32.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.586 ' HE1' ' HB3' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -152.38 135.07 15.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 23' ' ' LEU . 1.4 mt -92.0 131.06 37.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 24.5 tt0 -115.34 98.21 6.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.35 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.671 ' N ' HD12 ' A' ' 94' ' ' ILE . 3.0 mp -91.92 145.85 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.59 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -144.44 140.36 28.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.78 HD13 HG22 ' A' ' 46' ' ' VAL . 27.0 tp -114.0 135.9 53.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.508 ' CE2' ' HB ' ' A' ' 95' ' ' THR . 0.1 OUTLIER -142.94 165.78 26.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 107.988 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.406 ' OD2' ' NH1' ' A' ' 42' ' ' ARG . 3.3 t0 -120.83 104.94 10.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.414 ' CD1' ' CZ3' ' A' ' 97' ' ' TRP . 36.9 t80 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.538 0.209 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.482 HD12 ' HG ' ' A' ' 96' ' ' LEU . 96.9 mt -72.58 -33.77 66.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.79 -178.66 36.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.59 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.0 pt-20 -137.64 136.64 37.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 0.79 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 131' ' ' LEU . 70.8 mt -114.68 111.98 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.586 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 0.1 OUTLIER -95.4 133.69 39.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.455 HD12 HG22 ' A' ' 113' ' ' ILE . 2.8 mt -140.54 143.43 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.551 ' O ' ' HB2' ' A' ' 120' ' ' ALA . 6.6 mt-10 -109.95 139.45 45.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.68 ' N ' HD12 ' A' ' 117' ' ' LEU . 1.8 mp -77.26 -16.21 59.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -57.8 -38.02 74.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.344 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 67.7 p -134.25 10.14 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.623 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -40.26 136.44 1.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.46 87.39 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.94 HD13 ' HB2' ' A' ' 16' ' ' PHE . 43.8 mt -97.93 77.45 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.22 2.85 9.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.49 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 27.5 t70 61.58 26.22 15.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.99 150.85 45.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.48 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 121.85 6.84 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -125.9 131.82 52.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.569 ' CE3' ' OG ' ' A' ' 11' ' ' SER . 96.0 m95 -83.49 137.86 33.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -131.89 122.27 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -63.52 153.74 34.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.65 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -90.81 159.75 16.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -140.86 138.93 34.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.86 HD13 ' HB2' ' A' ' 30' ' ' ALA . 44.6 tp -118.35 153.68 33.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.524 ' H ' HD12 ' A' ' 10' ' ' LEU . 64.1 m -111.51 109.3 19.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.957 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.554 HD11 HD23 ' A' ' 10' ' ' LEU . 6.5 mt -120.32 121.83 66.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.673 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.6 ttmt -100.1 114.96 28.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.579 ' CB ' HD23 ' A' ' 122' ' ' LEU . 18.0 mt -107.23 151.57 25.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.0 t-105 -158.52 152.18 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 108.014 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -114.39 131.79 56.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.66 94.01 4.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -21.97 63.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.7 t -51.94 -68.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.89 5.2 53.4 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.5 m170 62.1 64.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.633 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.425 ' HB3' HG23 ' A' ' 78' ' ' ILE . 1.0 OUTLIER -132.21 148.12 52.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.809 ' HB2' HG11 ' A' ' 82' ' ' VAL . 18.9 tp -98.89 119.82 38.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.4 mp -94.72 130.51 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -141.6 101.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.905 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.3 m -96.43 121.18 37.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.422 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.036 HG22 ' CE3' ' A' ' 73' ' ' TRP . 49.5 mm -85.28 89.37 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.673 HD21 ' CE ' ' A' ' 13' ' ' LYS . 11.1 mt -54.91 -98.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.588 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -159.8 172.41 36.35 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.86 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -110.45 170.7 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.85 171.1 21.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' LYS . 88.2 m-20 39.85 43.54 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.468 ' CD ' ' HB2' ' A' ' 98' ' ' ASP . 1.3 ptt-85 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 66' ' ' LYS . 3.2 m-20 -114.62 87.28 14.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -74.96 156.67 43.17 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 5.1 p90 -167.63 134.2 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.974 HG22 HD13 ' A' ' 96' ' ' LEU . 22.6 t -91.85 155.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.18 109.91 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.818 HD11 HG13 ' A' ' 27' ' ' ILE . 3.5 mt -91.4 150.09 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -155.36 97.92 1.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.761 ' CD1' HD21 ' A' ' 92' ' ' LEU . 23.1 t80 -64.3 120.96 13.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.56 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 25.7 mmt180 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -139.37 136.88 35.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.475 HG21 ' HB ' ' A' ' 27' ' ' ILE . 67.7 p -82.18 165.31 20.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -58.84 145.22 41.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.8 m -80.58 110.66 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.445 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.825 HG11 HG21 ' A' ' 68' ' ' THR . 1.9 t -72.27 156.19 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HD3' ' ND2' ' A' ' 43' ' ' ASN . 12.7 mmtt -118.07 127.48 53.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 66' ' ' LYS . 13.4 mttt 41.51 91.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.825 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -179.42 108.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.162 . . . . 0.0 110.374 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -69.5 -22.54 63.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.417 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.6 mt-10 -122.56 87.58 49.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.704 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.3 Cg_endo -74.98 152.09 40.44 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -136.3 94.3 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 1.036 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.5 m-90 -90.5 -41.36 11.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 108.035 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.4 OUTLIER 39.36 34.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.905 ' O ' HG23 ' A' ' 26' ' ' THR . 1.7 mm100 -83.85 -179.07 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.4 m -129.51 144.61 51.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 46.7 m-85 -143.15 113.62 7.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 22' ' ' GLN . 32.4 mt -98.55 128.98 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.512 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.4 m-85 -120.35 111.33 17.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.529 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -146.22 162.09 36.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.044 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.529 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.2 Cg_endo -75.0 141.09 70.74 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.999 0.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.809 HG11 ' HB2' ' A' ' 23' ' ' LEU . 16.0 t -133.4 117.7 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -101.62 157.08 17.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.602 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -66.18 -39.61 89.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -28.3 66.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.46 -38.34 86.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -38.12 -53.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -46.51 -49.96 17.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.19 48.16 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.355 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.631 ' HG2' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -169.89 141.29 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.489 ' CE ' ' HG2' ' A' ' 116' ' ' GLU . 2.3 ttm -148.04 146.32 28.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.761 HD21 ' CD1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -93.1 154.02 18.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.679 ' HG3' HD11 ' A' ' 114' ' ' LEU . 15.6 tt0 -138.6 91.82 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.46 ' H ' HD12 ' A' ' 94' ' ' ILE . 5.1 mp -88.17 140.33 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.619 HG22 ' HB2' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -131.23 146.33 52.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.393 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.974 HD13 HG22 ' A' ' 46' ' ' VAL . 34.1 tp -127.79 132.99 49.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -142.13 -169.75 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 107.955 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.468 ' HB2' ' CD ' ' A' ' 42' ' ' ARG . 3.0 t0 -139.74 120.15 13.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.526 ' CE2' ' HA2' ' A' ' 111' ' ' GLY . 82.6 t80 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.506 0.193 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.4 mt -58.61 -29.79 66.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 109' ' ' PHE . . . 138.39 150.68 5.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.619 ' HB2' HG22 ' A' ' 95' ' ' THR . 0.9 OUTLIER -109.14 158.9 17.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.599 HG22 HD11 ' A' ' 115' ' ' ILE . 82.9 mt -127.43 102.25 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.679 HD11 ' HG3' ' A' ' 93' ' ' GLU . 2.4 mp -93.0 146.37 23.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.599 HD11 HG22 ' A' ' 113' ' ' ILE . 2.1 mp -143.09 129.19 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.489 ' HG2' ' CE ' ' A' ' 91' ' ' MET . 38.6 mt-10 -85.3 107.3 17.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.438 ' HA ' ' CB ' ' A' ' 120' ' ' ALA . 9.5 mt -43.53 -31.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.03 -45.6 92.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 116' ' ' GLU . 73.9 p -111.01 21.57 16.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -76.0 101.92 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.992 ' O ' HD12 ' A' ' 121' ' ' LEU . 4.0 pp -63.53 95.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.579 HD23 ' CB ' ' A' ' 14' ' ' LEU . 1.6 mt -100.21 114.29 27.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -159.46 28.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 49.1 t0 47.57 43.24 15.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 3.9 mt-10 -121.35 132.86 24.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.506 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.98 123.92 8.25 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.77 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.55 ' HB3' ' CE1' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -126.15 144.55 50.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 109.585 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.586 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 97.8 m95 -94.41 106.01 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 127' ' ' HIS . 29.0 m-85 -99.58 118.98 37.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 147.63 42.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.563 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.1 mt -90.0 153.72 20.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -142.27 135.28 28.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.548 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -115.03 136.0 53.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.587 ' HB2' ' CH2' ' A' ' 128' ' ' TRP . 1.7 t -100.87 126.62 47.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.707 ' CG2' HD11 ' A' ' 14' ' ' LEU . 8.4 mt -141.74 148.78 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.645 ' HB2' HD11 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -124.27 114.28 19.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.786 ' HB2' HD23 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -109.46 157.4 19.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -158.53 148.86 19.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 107.991 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -114.22 130.35 56.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.34 83.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -19.36 57.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.46 -69.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.43 7.61 78.17 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 52.18 48.25 23.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.54 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.73 142.29 51.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.83 ' HB2' HG11 ' A' ' 82' ' ' VAL . 15.0 tp -95.45 115.91 28.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.584 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.4 mp -88.57 137.46 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.504 ' HB ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -152.22 128.76 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.802 HG22 HD12 ' A' ' 28' ' ' LEU . 1.3 m -125.92 126.99 45.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.886 HG13 HD11 ' A' ' 48' ' ' ILE . 44.7 mm -87.25 87.09 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.802 HD12 HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -50.71 -99.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.591 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.33 165.86 35.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.594 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -101.7 168.93 9.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.01 160.09 39.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 58.9 45.34 15.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.594 HD21 ' HB1' ' A' ' 30' ' ' ALA . 20.1 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -117.17 81.25 12.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 98' ' ' ASP . 18.1 Cg_endo -75.05 165.37 31.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.791 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 28.5 p90 -168.93 123.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.831 HG22 HD13 ' A' ' 96' ' ' LEU . 6.3 t -74.88 161.07 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.401 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -146.38 111.31 5.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.354 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.886 HD11 HG13 ' A' ' 27' ' ' ILE . 3.1 mt -94.06 150.71 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.427 ' O ' HD13 ' A' ' 51' ' ' LEU . 2.4 m-85 -154.38 103.79 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CD1' HD21 ' A' ' 92' ' ' LEU . 37.0 t80 -73.63 94.82 2.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 49' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.567 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 62' ' ' THR . 6.5 ttm180 -129.0 140.71 51.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.577 HG22 ' CZ ' ' A' ' 77' ' ' PHE . 75.0 p -83.32 168.48 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.3 141.83 57.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.3 m -80.4 113.04 18.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.9 HG11 HG21 ' A' ' 68' ' ' THR . 2.1 t -71.76 153.93 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 67' ' ' LYS . 17.0 mmtt -115.05 117.2 29.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 66' ' ' LYS . 47.7 mttt 47.99 97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.9 HG21 HG11 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -176.12 114.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.393 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.19 -23.49 62.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 3.2 mt-10 -128.28 92.47 41.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.609 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.2 Cg_endo -75.04 158.57 41.96 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -144.47 99.4 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.86 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.3 m-90 -98.69 -49.09 4.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 107.968 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER 40.27 38.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.776 ' O ' HG23 ' A' ' 26' ' ' THR . 3.3 mm100 -80.95 172.53 13.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.6 m -110.39 142.1 42.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.577 ' CZ ' HG22 ' A' ' 62' ' ' THR . 53.0 m-85 -149.55 113.78 5.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.5 mt -103.9 145.86 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.532 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 10.3 m-85 -136.06 112.15 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.506 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.35 160.72 41.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.971 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -75.03 141.77 72.72 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.987 0.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.83 HG11 ' HB2' ' A' ' 23' ' ' LEU . 14.2 t -133.38 127.25 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -113.61 167.31 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.595 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.434 ' HD2' ' CE2' ' A' ' 87' ' ' PHE . 5.9 tpt180 -80.01 -15.36 57.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.17 -3.01 48.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.3 mm-40 -100.16 -6.95 25.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.497 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 7.6 m-30 -61.32 -49.55 76.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -67.38 -8.53 33.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -112.77 -10.15 13.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.453 ' HD3' ' CE2' ' A' ' 50' ' ' PHE . 52.8 mtt180 -138.44 128.52 25.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.561 ' HE3' ' HG2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -128.34 150.7 49.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.587 HD23 HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -96.18 144.25 26.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.457 ' HG3' HD21 ' A' ' 114' ' ' LEU . 9.3 tt0 -131.87 98.29 4.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.661 ' N ' HD12 ' A' ' 94' ' ' ILE . 2.9 mp -97.73 129.89 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.73 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -130.66 138.13 49.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.831 HD13 HG22 ' A' ' 46' ' ' VAL . 28.7 tp -108.46 129.68 55.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.577 ' CE3' ' HB2' ' A' ' 109' ' ' PHE . 4.6 m95 -128.28 174.53 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 0.5 OUTLIER -135.67 116.3 13.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.577 ' HB2' ' CE3' ' A' ' 97' ' ' TRP . 93.4 t80 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.518 0.199 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.7 mt -86.27 -25.24 25.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.14 -178.0 36.37 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.73 ' CB ' HG22 ' A' ' 95' ' ' THR . 1.2 pt-20 -139.32 143.6 37.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 10' ' ' LEU . 40.6 mt -126.37 117.29 48.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.499 HD13 ' HE2' ' A' ' 91' ' ' MET . 0.1 OUTLIER -104.86 135.39 46.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.598 HD12 HD13 ' A' ' 94' ' ' ILE . 5.2 mt -133.98 128.1 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.561 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 9.3 mt-10 -97.19 108.46 21.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.587 HD21 HD23 ' A' ' 92' ' ' LEU . 18.4 mt -45.71 -27.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -58.28 -39.45 79.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 116' ' ' GLU . 71.9 p -125.29 30.75 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.421 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -83.83 109.64 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 1.025 ' O ' HD12 ' A' ' 121' ' ' LEU . 4.0 pp -68.45 97.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.786 HD23 ' HB2' ' A' ' 14' ' ' LEU . 1.5 mt -104.89 125.06 50.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 125' ' ' GLU . 6.5 t0 179.72 44.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 124' ' ' ASP . 26.2 t0 47.62 24.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 123' ' ' ASP . 14.7 mt-10 -111.6 102.7 53.94 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.768 ' HB3' HD21 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 135.59 19.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -126.4 150.57 48.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.589 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 84.6 m95 -86.91 107.27 18.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -90.83 135.78 33.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -71.46 141.28 50.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.498 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -92.98 154.69 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -137.55 130.52 30.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.638 HD13 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -114.27 136.77 52.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.53 ' H ' HD23 ' A' ' 10' ' ' LEU . 67.2 m -99.88 115.98 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.638 HD11 HD13 ' A' ' 10' ' ' LEU . 7.8 mt -132.07 129.56 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.542 ' CE ' HD21 ' A' ' 28' ' ' LEU . 3.3 ttmt -105.02 113.89 27.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' CD1' HG21 ' A' ' 115' ' ' ILE . 65.4 mt -105.04 151.12 24.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.461 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 6.4 t-105 -159.03 148.53 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 107.97 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.593 ' HE1' HG12 ' A' ' 82' ' ' VAL . 63.5 t80 -111.08 138.27 47.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' A' ' 20' ' ' GLY . 18.5 t70 -113.52 108.69 17.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.88 -26.79 19.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.61 HG23 ' H ' ' A' ' 20' ' ' GLY . 27.0 m -55.83 -60.57 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.61 ' H ' HG23 ' A' ' 19' ' ' VAL . . . -97.84 2.85 60.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.115 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 80' ' ' SER . 56.9 m-70 58.96 63.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.767 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -138.8 159.98 40.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.988 ' HB2' HG11 ' A' ' 82' ' ' VAL . 6.1 tp -110.09 122.12 46.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.595 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.4 mp -93.89 148.03 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -162.46 103.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.1 m -101.29 128.79 47.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.868 HG22 ' CE3' ' A' ' 73' ' ' TRP . 48.6 mm -92.67 93.7 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' A' ' 126' ' ' PRO . 12.6 mt -57.02 -99.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.563 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.6 168.84 34.92 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.501 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . . . -106.63 162.24 13.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.571 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -149.63 164.3 35.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 50.54 55.6 9.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 69' ' ' LEU . 1.3 mp . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -120.46 84.63 36.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.55 42.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.591 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 2.2 p90 -173.05 122.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.809 HG22 HD13 ' A' ' 96' ' ' LEU . 16.8 t -73.77 161.01 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -149.96 110.89 4.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.629 HD11 HG13 ' A' ' 27' ' ' ILE . 2.4 mt -91.35 157.09 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.433 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -155.2 98.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.609 ' CD1' HD21 ' A' ' 92' ' ' LEU . 39.9 t80 -68.98 88.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.542 ' HD2' ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.97 162.5 24.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.524 ' HB ' ' CD1' ' A' ' 73' ' ' TRP . 39.1 p -81.77 166.1 20.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.95 148.27 35.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.8 m -80.71 112.05 17.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.655 HG11 HG21 ' A' ' 68' ' ' THR . 0.7 OUTLIER -81.91 142.07 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 67' ' ' LYS . 14.7 mmtt -106.03 130.3 53.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER 43.41 93.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.655 HG21 HG11 ' A' ' 65' ' ' VAL . 1.3 t -175.88 119.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.444 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.575 ' O ' HD22 ' A' ' 33' ' ' LEU . 55.2 mt -81.44 -19.79 41.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.435 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.8 mt-10 -129.87 85.55 57.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.574 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.2 Cg_endo -74.95 141.23 26.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -124.79 98.66 5.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.868 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.6 m-90 -92.06 -43.94 9.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 107.98 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' TRP . 1.1 m-80 38.71 39.09 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.849 ' O ' HG23 ' A' ' 26' ' ' THR . 1.3 mm100 -85.85 -175.19 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 m -133.94 135.7 43.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.542 ' CE1' ' HD2' ' A' ' 60' ' ' ARG . 47.5 m-85 -138.01 119.22 14.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.47 ' CG1' HG13 ' A' ' 24' ' ' ILE . 5.8 mt -110.74 139.31 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.516 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 84.8 m-85 -129.08 119.89 24.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.523 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -145.65 161.57 40.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.523 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.1 Cg_endo -75.05 143.28 77.26 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.959 0.067 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.988 HG11 ' HB2' ' A' ' 23' ' ' LEU . 19.5 t -135.59 118.72 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -105.65 159.99 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.598 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 tpt85 -73.56 -19.68 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -9.32 49.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -93.55 -11.2 32.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.524 ' CZ ' ' CD1' ' A' ' 16' ' ' PHE . 2.6 m-30 -55.16 -39.16 69.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -83.54 0.94 44.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -105.01 -20.4 13.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -145.38 148.31 33.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.425 ' HE3' ' CG ' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -131.42 153.53 49.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.609 HD21 ' CD1' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -93.65 147.55 22.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.474 ' HG3' HD21 ' A' ' 114' ' ' LEU . 14.9 tt0 -136.53 102.02 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.754 ' N ' HD12 ' A' ' 94' ' ' ILE . 2.2 mp -98.8 140.35 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.569 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -143.2 144.15 32.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 110.364 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.809 HD13 HG22 ' A' ' 46' ' ' VAL . 16.7 tp -107.64 134.76 50.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.58 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 1.1 m95 -138.04 162.88 32.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -124.44 98.48 5.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.4 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.517 0.199 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.564 HD12 ' HG ' ' A' ' 96' ' ' LEU . 28.6 mt -79.12 -51.72 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -171.84 -175.51 40.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.569 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.3 pt-20 -140.85 137.77 33.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.48 HD11 ' HG ' ' A' ' 131' ' ' LEU . 59.0 mt -126.47 114.99 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.474 HD21 ' HG3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -101.94 135.0 44.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.601 HD12 HD13 ' A' ' 94' ' ' ILE . 3.9 mt -136.72 117.51 17.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.425 ' CG ' ' HE3' ' A' ' 91' ' ' MET . 29.9 mt-10 -86.83 111.51 20.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.538 HD21 HD23 ' A' ' 92' ' ' LEU . 24.5 mt -44.22 -34.17 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -53.93 -52.71 59.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.8 p -111.2 28.14 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.45 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -78.91 108.95 12.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 1.021 ' O ' HD12 ' A' ' 121' ' ' LEU . 4.0 pp -63.71 95.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.503 HD13 ' HB2' ' A' ' 16' ' ' PHE . 1.2 mt -103.84 120.83 41.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -170.12 34.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.461 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 35.0 t0 41.75 37.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 7.1 mt-10 -114.61 128.21 26.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.6 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.99 123.25 7.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -125.45 150.15 47.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.638 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 91.8 m95 -97.95 105.03 17.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.525 ' OH ' HD11 ' A' ' 121' ' ' LEU . 52.0 m-85 -95.02 120.96 36.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -60.45 143.59 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.48 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.1 mt -89.86 144.24 26.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -145.79 128.87 16.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.682 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -120.15 137.03 54.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.608 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 68.5 m -100.73 107.87 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.682 HD11 HD13 ' A' ' 10' ' ' LEU . 7.8 mt -120.9 123.84 71.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.513 ' CE ' HD21 ' A' ' 28' ' ' LEU . 3.6 ttmt -100.87 114.37 28.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.68 ' HB3' HD23 ' A' ' 122' ' ' LEU . 18.5 mt -105.19 154.85 19.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -158.44 147.14 18.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.42 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 28.9 t80 -112.97 115.33 28.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -91.62 79.81 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -17.63 30.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.3 t -55.15 -65.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.24 5.51 45.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.4 m170 64.15 57.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.405 ' HB3' HG23 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -126.59 136.6 52.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.841 ' HB2' HG11 ' A' ' 82' ' ' VAL . 18.8 tp -88.74 119.58 29.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.501 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.6 mp -95.31 141.85 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.537 HG13 ' HB2' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -153.89 105.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -102.36 118.97 38.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.895 HG13 HD11 ' A' ' 48' ' ' ILE . 49.5 mm -81.34 95.94 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 126' ' ' PRO . 11.6 mt -61.6 -97.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.573 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.43 164.71 33.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.51 162.01 13.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -154.16 163.56 39.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 59.21 46.04 13.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.657 ' NH2' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -116.51 86.38 18.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 160.8 39.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.779 ' O ' HD12 ' A' ' 96' ' ' LEU . 4.9 p90 -169.12 142.43 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.822 HG22 HD13 ' A' ' 96' ' ' LEU . 13.1 t -99.05 153.86 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -141.76 106.21 4.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.895 HD11 HG13 ' A' ' 27' ' ' ILE . 3.1 mt -91.74 152.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -154.85 98.58 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.628 ' CD1' HD21 ' A' ' 92' ' ' LEU . 53.6 t80 -65.27 99.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.401 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 35.2 mmt180 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 62' ' ' THR . 51.8 ttp180 -138.59 143.87 39.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.374 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.504 HG21 HG21 ' A' ' 27' ' ' ILE . 74.3 p -88.22 161.31 17.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.19 143.54 43.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.3 m -80.04 110.86 15.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 110.427 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.638 HG11 HG21 ' A' ' 68' ' ' THR . 1.1 t -78.84 142.46 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -117.42 127.5 54.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt 58.9 83.55 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.638 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -179.7 111.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.412 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.657 HD22 ' NH2' ' A' ' 42' ' ' ARG . 14.3 mt -72.97 -19.73 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.438 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 5.6 mt-10 -129.84 89.99 44.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.343 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.587 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.99 151.02 39.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.793 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -135.42 93.97 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.887 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.4 m-90 -87.98 -40.36 13.95 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER 38.97 33.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.564 ' O ' HG23 ' A' ' 26' ' ' THR . 0.8 OUTLIER -82.83 177.6 8.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 110.341 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.423 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 1.2 m -127.16 148.63 50.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.537 ' HB2' HG13 ' A' ' 25' ' ' VAL . 38.1 m-85 -149.12 125.2 10.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.405 HG23 ' HB3' ' A' ' 22' ' ' GLN . 4.5 mt -110.91 144.41 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.518 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 11.5 m-85 -136.19 111.68 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.514 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.15 161.08 40.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.514 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.1 Cg_endo -75.07 141.43 71.67 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.96 0.077 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.841 HG11 ' HB2' ' A' ' 23' ' ' LEU . 17.5 t -134.13 115.42 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 83' ' ' HIS . 0.9 OUTLIER -96.49 159.76 14.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 109.605 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.42 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 9.1 tpt180 -69.82 -33.87 72.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -17.95 54.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.34 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' ARG . 2.9 mm-40 -78.49 -15.14 58.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.407 ' CG ' ' HB3' ' A' ' 117' ' ' LEU . 6.9 m-30 -54.99 -50.82 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -65.39 -13.91 59.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -108.38 -4.06 17.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -142.91 120.6 11.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.403 ' CE ' HD23 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -120.98 148.54 43.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.631 HD23 HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -92.44 145.19 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.616 ' HG3' HD11 ' A' ' 114' ' ' LEU . 10.6 tt0 -131.71 91.99 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.447 ' H ' HD12 ' A' ' 94' ' ' ILE . 4.4 mp -86.1 149.14 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.791 HG22 ' HB2' ' A' ' 112' ' ' GLU . 1.3 p -141.34 145.5 35.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.822 HD13 HG22 ' A' ' 46' ' ' VAL . 28.9 tp -128.96 131.1 47.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -143.12 168.64 19.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 108.023 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' CG ' ' HB2' ' A' ' 42' ' ' ARG . 1.8 t0 -119.34 105.59 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.528 0.204 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 72.7 mt -69.41 -14.91 63.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.32 154.66 7.9 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.791 ' HB2' HG22 ' A' ' 95' ' ' THR . 1.1 pt-20 -111.15 147.66 34.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.653 HD11 ' CD2' ' A' ' 131' ' ' LEU . 71.9 mt -119.06 101.75 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.616 HD11 ' HG3' ' A' ' 93' ' ' GLU . 1.4 mp -93.47 145.18 24.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.605 HD11 HG22 ' A' ' 113' ' ' ILE . 2.1 mp -142.05 122.88 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 119' ' ' THR . 38.5 mt-10 -84.26 104.84 14.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.631 HD21 HD23 ' A' ' 92' ' ' LEU . 16.6 mt -40.22 -32.63 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.02 -50.28 69.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 116' ' ' GLU . 76.1 p -110.86 28.37 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -83.37 106.02 14.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -67.91 89.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.68 HD23 ' HB3' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -91.61 128.95 37.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -179.07 38.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.1 t70 41.17 38.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -110.6 121.05 42.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.584 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.93 122.1 7.02 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -126.36 156.54 40.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.564 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.608 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 98.9 m95 -102.23 107.48 18.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 107.993 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -99.62 107.2 19.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -54.82 148.96 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.68 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -85.31 161.08 19.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -147.16 126.34 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.275 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -113.78 137.21 51.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.583 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 72.3 m -99.58 110.85 23.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.586 HD11 HD13 ' A' ' 10' ' ' LEU . 5.6 mt -122.37 121.86 64.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.657 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.0 ttmt -100.83 114.88 29.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.483 HD23 ' HB ' ' A' ' 25' ' ' VAL . 9.2 mt -107.6 153.33 23.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.422 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 6.0 t-105 -158.2 132.52 8.12 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.432 ' HE1' HG12 ' A' ' 82' ' ' VAL . 40.8 t80 -97.87 118.33 34.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.01 77.92 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -17.94 18.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.4 t -57.84 -68.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.75 3.38 65.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 63.82 49.3 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 0.78 . . . . 0.0 109.607 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.31 142.73 50.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.931 ' HB2' HG11 ' A' ' 82' ' ' VAL . 32.0 tp -95.91 118.02 31.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.6 mp -92.89 131.01 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.483 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -143.55 106.79 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.864 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -104.4 125.39 50.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.882 HG22 ' CE3' ' A' ' 73' ' ' TRP . 42.8 mm -87.47 88.16 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.657 HD21 ' CE ' ' A' ' 13' ' ' LYS . 10.1 mt -51.45 -99.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 71' ' ' PRO . . . -157.49 162.17 31.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.687 ' HB1' HD11 ' A' ' 33' ' ' LEU . . . -99.1 160.42 14.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -153.92 165.93 34.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 46.86 44.65 14.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.767 HD22 ' O ' ' A' ' 69' ' ' LEU . 1.4 mp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.521 ' NH1' HD12 ' A' ' 69' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.469 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 6.2 m-20 -121.18 93.69 48.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.468 ' HG3' ' NH1' ' A' ' 42' ' ' ARG . 18.1 Cg_endo -75.01 167.37 27.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.585 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 9.7 p90 -178.26 122.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.803 HG22 HD13 ' A' ' 96' ' ' LEU . 21.4 t -73.62 161.35 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -150.13 112.19 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.5 HD11 HG13 ' A' ' 27' ' ' ILE . 1.8 mt -91.42 153.32 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -154.85 97.72 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -65.45 105.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.951 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.559 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 159.46 29.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.608 HG21 ' HB ' ' A' ' 27' ' ' ILE . 47.6 p -81.19 172.97 12.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -58.36 154.95 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.0 m -92.59 114.31 26.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -90.98 137.28 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 67' ' ' LYS . 11.1 mmtt -101.4 134.25 44.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 66' ' ' LYS . 4.3 mtpm? 41.77 92.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.7 OUTLIER -177.84 113.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.432 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.767 ' O ' HD22 ' A' ' 33' ' ' LEU . 2.2 mp -79.02 -17.79 54.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.412 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 3.1 mt-10 -125.94 80.27 67.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.677 ' HD2' ' HB3' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.01 142.96 28.46 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -128.32 96.04 4.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.882 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.8 m-90 -89.0 -41.37 12.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.423 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 40.39 35.09 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.864 ' O ' HG23 ' A' ' 26' ' ' THR . 1.9 mt-30 -83.21 -174.95 5.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.1 m -132.59 146.68 52.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.559 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 59.2 m-85 -149.65 113.06 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.8 mt -98.23 144.24 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.511 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 10.4 m-85 -135.57 112.6 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.35 160.26 42.75 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.976 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.5 Cg_endo -74.99 143.38 77.64 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.027 -0.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.931 HG11 ' HB2' ' A' ' 23' ' ' LEU . 24.1 t -136.39 106.15 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -93.97 165.67 12.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.64 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.5 tpt85 -73.81 -16.61 61.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.36 -12.43 27.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.3 mm-40 -86.35 -13.47 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 4.5 m-30 -57.84 -49.2 77.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.426 ' CB ' ' OE1' ' A' ' 118' ' ' GLU . 26.9 ptt180 -74.8 -4.49 38.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -106.58 -17.9 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.7 mpt_? -142.11 131.01 22.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.502 ' SD ' HD12 ' A' ' 114' ' ' LEU . 0.8 OUTLIER -119.2 155.51 31.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.705 HD12 HD21 ' A' ' 117' ' ' LEU . 6.6 mt -92.94 148.54 21.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.434 ' HG3' HD21 ' A' ' 114' ' ' LEU . 13.5 tt0 -134.17 92.11 2.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.692 ' N ' HD12 ' A' ' 94' ' ' ILE . 2.3 mp -95.9 140.25 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.564 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -143.72 150.31 38.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.378 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.803 HD13 HG22 ' A' ' 46' ' ' VAL . 16.2 tp -114.91 131.57 56.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.585 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -136.01 170.83 15.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 1.2 t0 -127.92 114.99 17.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.466 ' CD1' ' CZ3' ' A' ' 97' ' ' TRP . 52.0 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.524 0.202 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.629 HD12 ' HG ' ' A' ' 96' ' ' LEU . 85.4 mt -75.97 -44.0 41.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.75 176.99 47.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.564 ' CB ' HG22 ' A' ' 95' ' ' THR . 1.0 OUTLIER -132.46 136.0 46.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 0.8 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.551 HD11 ' CD2' ' A' ' 131' ' ' LEU . 39.9 mt -120.92 103.42 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.502 HD12 ' SD ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -96.86 136.14 37.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.7 mt -137.17 120.55 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.488 ' CG ' ' HE3' ' A' ' 91' ' ' MET . 53.1 mt-10 -81.33 112.0 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.705 HD21 HD12 ' A' ' 92' ' ' LEU . 11.4 mt -44.88 -31.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.426 ' OE1' ' CB ' ' A' ' 88' ' ' ARG . 16.0 tt0 -57.68 -53.58 56.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 72.5 p -104.1 27.07 8.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.564 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -71.81 170.35 13.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.979 ' C ' HD13 ' A' ' 122' ' ' LEU . 5.8 mt -125.39 113.96 18.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.979 HD13 ' C ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -123.99 103.2 8.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -161.59 28.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.422 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 6.5 t0 49.18 41.97 20.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -120.15 126.14 26.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.499 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.95 125.79 9.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.547 1.814 . . . . 0.0 111.05 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -124.83 140.74 52.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.622 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.583 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 98.0 m95 -93.65 110.54 22.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -102.7 111.39 23.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -57.29 150.61 17.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.681 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -91.16 150.53 21.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 16.2 pt20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -141.95 151.76 42.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.124 HD23 HD11 ' A' ' 12' ' ' ILE . 23.0 tp -131.94 138.61 48.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.458 ' OG ' ' CH2' ' A' ' 128' ' ' TRP . 66.7 m -98.51 115.32 28.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 1.124 HD11 HD23 ' A' ' 10' ' ' LEU . 4.4 mt -126.81 122.78 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.542 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.0 ttmt -100.31 114.04 27.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.745 ' HB3' HD23 ' A' ' 122' ' ' LEU . 65.2 mt -103.01 147.84 26.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.605 ' CE3' ' CG ' ' A' ' 124' ' ' ASP . 5.4 t-105 -158.72 135.82 9.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 107.982 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.663 ' HB2' HD13 ' A' ' 122' ' ' LEU . 65.3 t80 -100.87 137.91 38.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.476 ' OD1' ' CG2' ' A' ' 19' ' ' VAL . 26.0 t70 -112.66 109.09 18.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.4 -27.02 16.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.755 HG23 ' H ' ' A' ' 20' ' ' GLY . 12.2 m -48.56 -64.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.755 ' H ' HG23 ' A' ' 19' ' ' VAL . . . -100.91 0.22 55.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 80' ' ' SER . 34.8 m170 67.7 71.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 109.585 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 17' ' ' ASP . 1.0 OUTLIER -144.61 163.51 33.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.843 ' HB2' HG11 ' A' ' 82' ' ' VAL . 53.8 tp -117.0 117.87 30.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.642 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.3 mp -89.24 127.18 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -130.44 104.26 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -106.0 126.2 51.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.379 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.95 HG22 ' CE3' ' A' ' 73' ' ' TRP . 35.2 mm -98.34 91.76 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 126' ' ' PRO . 10.9 mt -54.92 -100.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.56 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.07 166.12 35.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.584 ' HB2' ' CD1' ' A' ' 10' ' ' LEU . . . -103.18 174.39 5.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -159.86 171.78 18.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.35 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LYS . 26.0 m-20 40.53 44.8 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.705 HD21 HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.641 HH12 HD23 ' A' ' 33' ' ' LEU . 6.0 ptt85 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -113.82 91.69 22.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HG2' ' HG3' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -75.01 156.36 42.95 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.564 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.7 p90 -168.68 131.97 1.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.759 HG22 HD13 ' A' ' 96' ' ' LEU . 17.2 t -86.02 161.51 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CD ' ' CE2' ' A' ' 49' ' ' TYR . 1.3 ttmm -148.67 112.17 5.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.232 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.716 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.6 mt -91.9 149.04 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.503 ' CE2' ' CD ' ' A' ' 47' ' ' LYS . 0.9 OUTLIER -152.81 99.85 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.656 ' CD2' HD21 ' A' ' 92' ' ' LEU . 14.9 t80 -65.0 89.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.7 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.569 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 31.8 mmt180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.96 138.66 45.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.461 HG21 ' HB ' ' A' ' 27' ' ' ILE . 73.7 p -83.12 169.08 16.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.35 145.77 55.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.2 m -81.09 117.09 21.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.631 HG11 HG21 ' A' ' 68' ' ' THR . 0.4 OUTLIER -87.06 143.07 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -107.69 136.59 47.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt 40.72 87.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.631 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.72 110.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 63.3 mt -77.71 -16.96 58.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 4.4 mt-10 -124.26 80.25 59.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.614 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.0 Cg_endo -75.0 146.88 33.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -130.41 94.02 3.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.95 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.0 m-90 -87.89 -42.7 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 73' ' ' TRP . 1.7 m120 37.62 40.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 26' ' ' THR . 2.4 mm100 -87.93 177.88 6.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -132.02 133.45 44.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 23.6 m-85 -135.11 113.02 10.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.1 mt -95.22 128.71 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.54 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.3 OUTLIER -116.13 114.08 23.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.487 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.16 160.13 43.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.2 Cg_endo -75.03 143.37 77.58 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.028 -2.488 . . . . 0.0 110.954 0.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 23' ' ' LEU . 22.4 t -135.7 128.6 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -111.83 169.73 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.542 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.406 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 10.3 tpt180 -79.93 -34.84 38.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -11.02 59.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.456 ' OE1' ' NH1' ' A' ' 90' ' ' ARG . 1.8 mm-40 -85.51 -3.74 58.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 4.2 m-30 -67.43 -36.84 82.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.475 ' N ' ' OE1' ' A' ' 118' ' ' GLU . 1.4 ptt180 -84.54 38.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -149.62 -32.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.251 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.575 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 1.1 mpp_? -129.72 125.89 36.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.622 ' HE1' ' HB3' ' A' ' 114' ' ' LEU . 0.8 OUTLIER -115.87 153.27 31.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.989 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.656 HD21 ' CD2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -93.92 144.8 25.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.482 ' HG3' HD21 ' A' ' 114' ' ' LEU . 12.5 tt0 -134.08 92.84 3.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.648 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.6 mp -88.84 140.33 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.561 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -143.32 151.02 40.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.396 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.759 HD13 HG22 ' A' ' 46' ' ' VAL . 17.8 tp -113.86 137.41 51.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -143.76 165.51 27.46 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -121.03 129.07 53.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.347 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.598 ' CZ ' ' C ' ' A' ' 111' ' ' GLY . 38.7 t80 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.458 0.171 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.6 mt -85.93 -45.88 11.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.598 ' C ' ' CZ ' ' A' ' 109' ' ' PHE . . . -177.34 -169.4 38.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.561 ' CB ' HG22 ' A' ' 95' ' ' THR . 6.4 pt-20 -147.9 143.49 27.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.76 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.466 HD11 ' HG ' ' A' ' 131' ' ' LEU . 23.7 mt -128.88 109.43 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.622 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 0.1 OUTLIER -98.39 129.43 45.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.412 ' CD1' HG22 ' A' ' 113' ' ' ILE . 4.7 mt -137.43 123.94 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.587 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 2.0 mt-10 -89.6 126.05 35.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.57 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 20.2 mt -54.9 -39.42 68.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 88' ' ' ARG . 3.0 tp10 -57.0 -51.67 68.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.5 p -107.26 31.58 5.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 116' ' ' GLU . . . -77.95 157.07 29.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.8 mt -99.59 90.85 4.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.745 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.1 mt -105.22 118.34 36.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.454 ' C ' ' N ' ' A' ' 125' ' ' GLU . 3.8 t0 -176.03 36.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.605 ' CG ' ' CE3' ' A' ' 15' ' ' TRP . 11.0 m-20 38.75 31.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.478 ' O ' ' CE1' ' A' ' 127' ' ' HIS . 3.5 mt-10 -114.48 129.81 24.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.551 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 127.52 10.75 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' A' ' 125' ' ' GLU . 20.9 m80 -125.43 141.27 52.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.577 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 93.5 m95 -92.19 105.85 17.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 108.024 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 127' ' ' HIS . 43.0 m-85 -95.2 114.33 26.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -61.36 140.6 57.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.466 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -87.28 143.78 27.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -150.13 118.39 6.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.668 HD23 HD11 ' A' ' 12' ' ' ILE . 36.5 tp -103.93 141.62 35.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.592 ' OG ' ' CE3' ' A' ' 128' ' ' TRP . 71.6 m -106.53 114.06 27.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.037 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.668 HD11 HD23 ' A' ' 10' ' ' LEU . 4.8 mt -126.53 129.38 71.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.521 ' CE ' HD21 ' A' ' 28' ' ' LEU . 4.1 ttmt -104.96 114.58 28.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.7 mt -102.21 147.16 26.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.429 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 3.8 t-105 -157.85 140.17 14.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 108.016 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.422 ' CD1' ' HZ ' ' A' ' 87' ' ' PHE . 68.9 t80 -104.05 146.29 28.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.705 ' CG ' HG22 ' A' ' 19' ' ' VAL . 5.8 t0 -122.1 118.2 28.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 -20.82 20.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.831 HG23 ' H ' ' A' ' 20' ' ' GLY . 6.0 m -45.97 -68.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.831 ' H ' HG23 ' A' ' 19' ' ' VAL . . . -109.75 5.84 31.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 80' ' ' SER . 29.8 m80 67.11 68.56 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.536 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -130.06 160.24 34.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.688 ' HB2' HG11 ' A' ' 82' ' ' VAL . 25.1 tp -111.98 114.56 27.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.59 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.5 mp -84.32 132.88 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 t -138.04 103.24 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -106.34 118.24 36.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.436 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.898 HG13 HD11 ' A' ' 48' ' ' ILE . 35.1 mm -89.1 97.43 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 126' ' ' PRO . 12.7 mt -61.12 -100.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.58 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -163.15 160.08 32.63 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.656 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -92.84 175.44 6.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.599 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -159.96 162.78 34.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 52.13 50.9 17.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.656 HD21 ' HB1' ' A' ' 30' ' ' ALA . 29.4 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' NH1' ' OD2' ' A' ' 98' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 16.6 m-20 -115.21 89.01 19.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 169.09 23.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -179.18 127.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.764 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 6.6 t -87.74 159.15 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HD3' ' CE2' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -148.64 108.16 3.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.898 HD11 HG13 ' A' ' 27' ' ' ILE . 2.7 mt -92.36 153.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.506 ' O ' HD13 ' A' ' 51' ' ' LEU . 1.1 m-85 -154.91 98.11 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -61.58 96.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 49' ' ' TYR . 5.4 mp . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.539 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 41.5 mmt180 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -133.39 149.21 51.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.499 HG22 ' CE2' ' A' ' 77' ' ' PHE . 68.9 p -98.33 173.43 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 142.86 54.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.3 m -80.31 113.12 18.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.752 HG11 HG21 ' A' ' 68' ' ' THR . 1.5 t -79.14 146.91 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -120.37 130.67 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 mttp 49.8 88.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.752 HG21 HG11 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -176.96 114.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.5 mt -74.32 -20.05 60.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -130.25 89.82 43.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.401 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.4 Cg_endo -74.97 152.95 41.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -140.62 103.08 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.858 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.1 m-90 -95.61 -45.79 6.9 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER 40.66 37.43 0.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.406 ' O ' HG23 ' A' ' 26' ' ' THR . 2.7 mm100 -87.54 177.61 7.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 m -128.57 140.17 51.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.539 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 30.7 m-85 -143.27 114.76 8.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.5 mt -96.37 145.86 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.5 OUTLIER -135.45 111.0 9.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.488 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -147.81 160.27 38.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.985 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -75.02 143.97 79.45 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.984 0.034 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.688 HG11 ' HB2' ' A' ' 23' ' ' LEU . 4.3 t -129.23 128.58 66.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.579 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 2.2 m-70 -105.14 170.28 7.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.599 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' HD2' ' CE2' ' A' ' 87' ' ' PHE . 1.0 OUTLIER -85.76 -33.48 21.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -1.19 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.295 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -91.44 -35.35 14.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 83' ' ' HIS . 13.7 m-30 -36.18 -31.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -65.24 -77.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -61.59 -21.41 64.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 87' ' ' PHE . 7.9 mpt_? -106.63 108.03 19.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.56 ' HE3' ' HG2' ' A' ' 116' ' ' GLU . 4.2 ttt -122.92 150.75 42.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.542 HD12 HD21 ' A' ' 117' ' ' LEU . 15.9 mt -92.49 147.52 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.519 ' HG3' HD21 ' A' ' 114' ' ' LEU . 7.2 tt0 -137.14 98.28 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 94' ' ' ILE . 2.8 mp -96.4 142.47 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.539 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -144.65 141.59 29.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.74 HD13 HG22 ' A' ' 46' ' ' VAL . 17.4 tp -110.43 137.97 47.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -144.39 165.9 26.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 108.042 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.444 ' OD2' ' NH1' ' A' ' 42' ' ' ARG . 1.6 t0 -125.67 112.29 15.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 21.3 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.5 0.19 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.718 HD12 ' HG ' ' A' ' 96' ' ' LEU . 60.8 mt -57.39 -39.44 76.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.554 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 167.42 -179.02 41.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.539 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.1 pt-20 -131.69 135.24 46.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 0.798 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.781 HD11 ' CD2' ' A' ' 131' ' ' LEU . 7.8 mt -120.35 105.64 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.525 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 0.2 OUTLIER -97.97 133.88 41.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.555 HD12 HD13 ' A' ' 94' ' ' ILE . 4.8 mt -136.91 120.72 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.56 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 4.2 mt-10 -87.16 121.15 29.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 92' ' ' LEU . 10.8 mt -45.3 -53.79 7.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.451 ' N ' ' HB3' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -45.82 -28.39 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' GLU . 1.5 p -122.61 28.69 7.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -92.91 107.01 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 1.006 ' O ' HD12 ' A' ' 121' ' ' LEU . 3.9 pp -64.14 99.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.66 124.95 45.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 125' ' ' GLU . 1.6 t0 176.12 39.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.429 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 29.5 t70 38.72 32.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 123' ' ' ASP . 5.0 mt-10 -107.6 121.27 44.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.597 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.97 122.95 7.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.457 1.767 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.84 139.7 53.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.573 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.599 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 84.6 m95 -87.52 122.5 31.32 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -113.25 115.44 28.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 11.2 mtmt -63.81 154.43 33.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.781 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -93.93 157.01 16.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.279 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -145.79 119.75 9.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 0.774 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.56 HD13 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -104.23 132.24 50.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 128' ' ' TRP . 6.5 t -95.6 127.2 41.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.56 HD11 HD13 ' A' ' 10' ' ' LEU . 15.9 mt -141.6 167.04 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.616 ' HB2' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -133.89 132.59 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.598 HD23 ' HB ' ' A' ' 25' ' ' VAL . 7.5 mt -128.04 149.99 50.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -157.42 155.22 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.695 ' HB2' HD13 ' A' ' 122' ' ' LEU . 45.0 t80 -120.08 122.71 41.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -101.86 93.03 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -20.85 65.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.5 t -51.54 -71.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.84 2.9 62.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 65.74 53.21 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 109.586 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.467 ' HB3' HG23 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -121.38 143.84 48.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.66 ' HB2' HG11 ' A' ' 82' ' ' VAL . 10.7 tp -97.33 115.12 27.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.557 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.4 mp -88.84 135.48 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.598 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -150.93 126.72 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.831 HG22 HD12 ' A' ' 28' ' ' LEU . 1.2 m -123.23 125.11 44.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.961 HG13 HD11 ' A' ' 48' ' ' ILE . 41.4 mm -85.79 86.31 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.858 HD21 ' HB3' ' A' ' 126' ' ' PRO . 0.2 OUTLIER -49.94 -99.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.62 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -164.32 159.59 32.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.571 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -93.57 169.84 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -157.39 167.27 30.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 50.59 49.06 21.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.571 HD21 ' HB1' ' A' ' 30' ' ' ALA . 20.1 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 28.2 m-20 -116.55 82.21 12.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 165.18 31.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.2 p90 -171.81 136.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.707 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 5.2 t -89.2 160.24 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -143.82 106.99 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.961 HD11 HG13 ' A' ' 27' ' ' ILE . 1.7 mt -91.67 150.58 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -154.59 102.64 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.506 ' CD1' HD21 ' A' ' 92' ' ' LEU . 48.0 t80 -74.28 92.19 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.516 HD11 ' CB ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -139.12 146.65 40.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.419 HG21 ' HB ' ' A' ' 27' ' ' ILE . 61.6 p -83.33 172.45 12.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.59 144.03 55.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.513 HG21 ' OE1' ' A' ' 99' ' ' GLN . 16.7 m -80.2 116.23 20.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.739 HG11 HG21 ' A' ' 68' ' ' THR . 1.4 t -79.39 148.09 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' LYS . 12.3 mmtt -113.15 123.31 49.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 66' ' ' LYS . 32.7 mtpt 48.14 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.739 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -177.97 114.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 69' ' ' LEU . 21.7 mt -73.84 -20.82 60.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -129.28 90.87 43.47 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.546 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.3 Cg_endo -75.0 152.9 41.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -140.36 103.12 4.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.883 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.3 m-90 -101.58 -47.7 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 108.021 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER 38.91 38.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.715 ' O ' HG23 ' A' ' 26' ' ' THR . 1.7 mm100 -80.03 177.07 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.515 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 20.8 m -117.23 140.75 49.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 110.368 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 30.0 m-85 -148.43 114.5 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 22' ' ' GLN . 5.1 mt -104.05 145.12 13.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 7.2 m-85 -135.08 110.93 9.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.66 160.43 41.28 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.0 142.49 74.91 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.97 0.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.66 HG11 ' HB2' ' A' ' 23' ' ' LEU . 11.2 t -132.68 117.5 30.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -105.41 157.33 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.61 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -67.84 -29.17 68.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -6.18 55.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.3 mm-40 -99.8 -12.45 19.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 3.7 m-30 -55.71 -53.93 50.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -64.02 -11.46 29.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -110.42 -1.63 16.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -144.88 122.06 11.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -126.44 148.96 49.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.704 HD23 HD21 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -93.75 143.66 26.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.516 ' CB ' HD11 ' A' ' 51' ' ' LEU . 21.8 tt0 -131.03 97.68 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.788 HD13 HD12 ' A' ' 115' ' ' ILE . 2.9 mp -97.21 131.01 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.71 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -129.67 148.96 51.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.499 HD13 HG22 ' A' ' 46' ' ' VAL . 20.2 tp -115.46 138.87 50.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.579 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 2.7 m95 -140.76 176.3 8.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 2.1 t0 -130.72 99.07 4.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.513 ' OE1' HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.61 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 39.4 t80 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.496 0.188 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 90.3 mt -80.16 -27.4 39.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.61 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 153.88 170.35 19.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.71 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.4 pt-20 -132.43 136.42 46.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.628 HD11 HD22 ' A' ' 131' ' ' LEU . 23.7 mt -117.5 121.98 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -107.24 135.74 48.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.788 HD12 HD13 ' A' ' 94' ' ' ILE . 7.8 mt -135.05 118.07 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.452 ' CG ' ' HE3' ' A' ' 91' ' ' MET . 39.2 mt-10 -88.49 113.6 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.704 HD21 HD23 ' A' ' 92' ' ' LEU . 17.5 mt -50.85 -29.13 11.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -53.69 -52.4 60.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.6 p -117.15 26.13 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -66.52 149.81 49.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.9 90.75 8.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.695 HD13 ' HB2' ' A' ' 16' ' ' PHE . 7.0 mt -106.43 106.96 17.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -171.71 34.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.8 t0 48.8 25.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -115.0 108.55 48.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.858 ' HB3' HD21 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.95 130.98 13.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -125.75 144.19 50.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.617 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.589 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 86.2 m95 -78.69 125.0 28.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.055 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.464 ' HB2' HD13 ' A' ' 113' ' ' ILE . 45.8 m-85 -112.04 129.94 56.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 2.7 mtmt -66.09 157.3 31.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.639 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -95.93 165.98 12.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -139.07 135.08 33.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.596 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -115.84 136.56 52.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.568 ' HB2' ' CH2' ' A' ' 128' ' ' TRP . 2.4 t -102.36 120.44 40.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.596 HD11 HD13 ' A' ' 10' ' ' LEU . 7.5 mt -132.7 131.72 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.771 ' CE ' HD21 ' A' ' 28' ' ' LEU . 2.4 ttmt -106.05 114.8 29.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.439 ' CD2' HG13 ' A' ' 25' ' ' VAL . 88.4 mt -105.35 145.27 30.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.41 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.6 t-105 -154.22 132.84 12.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.027 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.464 ' HE1' HG12 ' A' ' 82' ' ' VAL . 65.7 t80 -91.38 148.7 22.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.518 ' OD2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -122.56 112.32 17.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.92 -24.2 16.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.163 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.726 HG23 ' H ' ' A' ' 20' ' ' GLY . 13.3 m -50.24 -63.48 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.726 ' H ' HG23 ' A' ' 19' ' ' VAL . . . -104.25 1.54 43.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.485 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 89.1 m-70 68.03 62.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 0.788 . . . . 0.0 109.57 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -129.77 174.55 9.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.83 ' HB2' HG11 ' A' ' 82' ' ' VAL . 59.7 tp -127.57 115.17 18.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.687 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.3 mp -86.14 133.3 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.439 HG13 ' CD2' ' A' ' 14' ' ' LEU . 40.8 t -136.08 96.88 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.9 125.11 40.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.873 HG13 HD11 ' A' ' 48' ' ' ILE . 49.9 mm -96.93 91.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.771 HD21 ' CE ' ' A' ' 13' ' ' LYS . 15.4 mt -53.99 -100.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.582 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.35 170.26 35.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.441 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -107.47 164.2 12.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -157.44 151.65 24.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t0 73.73 42.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.441 HD21 ' HB1' ' A' ' 30' ' ' ALA . 19.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -116.18 90.42 28.88 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 162.05 37.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.9 p90 -173.38 131.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.867 HG22 HD13 ' A' ' 96' ' ' LEU . 19.7 t -86.32 162.15 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.401 ' N ' HG12 ' A' ' 46' ' ' VAL . 14.8 ttpt -149.18 110.36 4.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.873 HD11 HG13 ' A' ' 27' ' ' ILE . 3.3 mt -92.04 149.89 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -153.93 98.75 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.589 ' CZ ' HD11 ' A' ' 117' ' ' LEU . 0.8 OUTLIER -75.18 108.62 8.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.3 mmt-85 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.45 139.77 53.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.8 p -82.58 168.62 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.399 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 145.07 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.1 m -80.63 115.19 20.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.552 HG11 HG21 ' A' ' 68' ' ' THR . 0.6 OUTLIER -85.06 147.21 5.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -119.69 138.76 53.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt 44.59 85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.552 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.15 112.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.421 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mp -75.45 -19.61 59.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -128.12 87.39 55.6 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.4 Cg_endo -74.99 152.33 40.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -137.73 97.21 3.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.809 ' CZ2' HG23 ' A' ' 46' ' ' VAL . 4.6 m-90 -89.56 -43.35 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 107.996 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER 38.81 40.61 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.02 -176.77 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 m -137.17 130.16 30.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' VAL . 27.2 m-85 -131.39 113.6 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 12.3 mt -94.87 137.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.516 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.6 m-85 -127.2 113.87 16.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.516 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -145.59 161.28 41.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.516 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -75.0 144.64 81.59 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.958 0.012 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.83 HG11 ' HB2' ' A' ' 23' ' ' LEU . 24.8 t -137.37 121.53 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -110.29 160.76 16.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.615 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -77.05 -13.07 60.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.26 -5.88 42.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -97.33 -16.24 20.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.54 ' CD1' ' HB3' ' A' ' 117' ' ' LEU . 3.3 m-30 -50.56 -56.25 12.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -57.12 -16.23 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -114.6 25.24 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.643 ' HB3' HD12 ' A' ' 117' ' ' LEU . 3.2 mtt180 -160.07 145.85 15.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.493 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 1.1 ttt -145.8 141.27 27.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.7 mt -93.31 151.42 19.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.476 ' C ' HD12 ' A' ' 94' ' ' ILE . 18.9 tt0 -138.27 115.01 10.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.812 ' N ' HD12 ' A' ' 94' ' ' ILE . 1.9 mp -114.41 145.92 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.505 HG22 ' CB ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -145.56 143.49 29.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.867 HD13 HG22 ' A' ' 46' ' ' VAL . 17.7 tp -112.62 133.14 54.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -140.21 173.75 11.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 107.982 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.38 112.65 13.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 111' ' ' GLY . 55.1 t80 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.513 0.197 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.63 HD12 ' HG ' ' A' ' 96' ' ' LEU . 52.3 mt -77.3 -34.44 55.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.473 ' O ' ' CE1' ' A' ' 109' ' ' PHE . . . 169.57 -173.25 43.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.505 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.2 pt-20 -143.01 140.82 31.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 110.306 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.452 HD11 ' HG ' ' A' ' 131' ' ' LEU . 26.3 mt -125.72 116.09 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.493 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -107.55 134.3 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.7 mt -135.75 124.71 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 120' ' ' ALA . 20.3 mt-10 -89.7 125.67 35.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 90' ' ' ARG . 10.5 mt -54.65 -36.76 64.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -52.92 -51.54 60.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.1 p -107.14 26.15 10.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -71.04 165.43 23.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.998 ' C ' HD13 ' A' ' 122' ' ' LEU . 10.7 mt -124.39 112.39 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.998 HD13 ' C ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -125.05 87.84 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.44 32.26 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 48.29 35.63 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.087 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -116.44 123.1 31.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.739 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.96 124.28 8.53 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -123.45 134.75 53.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 11' ' ' SER . 90.3 m95 -88.34 106.47 18.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 107.983 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -90.86 142.1 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -76.26 145.58 39.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.452 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -93.7 140.71 29.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -128.45 137.87 52.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.496 HD23 ' H ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -119.23 140.39 50.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.496 ' H ' HD23 ' A' ' 10' ' ' LEU . 3.3 t -108.99 122.28 46.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.403 HD11 HD13 ' A' ' 10' ' ' LEU . 4.8 mt -132.28 132.94 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.816 ' CE ' HD21 ' A' ' 28' ' ' LEU . 4.8 ttmt -106.76 125.85 51.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.46 HD23 ' HB ' ' A' ' 25' ' ' VAL . 11.4 mt -119.34 149.26 42.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.474 ' CA ' ' HB3' ' A' ' 122' ' ' LEU . 4.3 t-105 -155.84 130.15 8.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.569 ' HE1' HG12 ' A' ' 82' ' ' VAL . 44.0 t80 -95.91 119.76 34.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' HIS . 1.0 OUTLIER -95.91 81.14 3.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -18.77 59.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.6 -71.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.41 1.67 82.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 17' ' ' ASP . 30.2 m80 62.42 54.28 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.97 150.43 50.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.843 ' HB2' HG11 ' A' ' 82' ' ' VAL . 17.8 tp -101.35 117.98 36.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.581 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.5 mp -93.92 123.71 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -135.69 105.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -102.58 115.66 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.404 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.987 HG13 HD11 ' A' ' 48' ' ' ILE . 46.1 mm -78.6 96.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.816 HD21 ' CE ' ' A' ' 13' ' ' LYS . 16.7 mt -59.28 -100.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.503 ' HA2' ' CE3' ' A' ' 73' ' ' TRP . . . -162.61 159.32 31.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.424 1.077 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.861 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -95.91 163.05 13.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.562 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.13 168.58 26.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 48.21 40.04 13.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.861 HD21 ' HB1' ' A' ' 30' ' ' ALA . 56.3 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.494 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.553 ' ND2' ' HA ' ' A' ' 66' ' ' LYS . 2.8 m120 -113.41 83.48 6.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 18.4 Cg_endo -75.01 166.58 28.89 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 34.7 p90 -170.17 122.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.869 HG22 HD13 ' A' ' 96' ' ' LEU . 7.3 t -77.28 158.16 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 111.31 6.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.987 HD11 HG13 ' A' ' 27' ' ' ILE . 3.5 mt -91.53 146.63 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -154.73 98.64 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.637 ' CZ ' HD11 ' A' ' 117' ' ' LEU . 7.7 t80 -66.36 104.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.647 HD11 ' HB2' ' A' ' 93' ' ' GLU . 60.7 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.528 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 14.2 mmt180 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.91 137.75 54.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.264 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.471 HG21 HG21 ' A' ' 27' ' ' ILE . 80.5 p -81.44 168.47 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.72 144.97 56.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.618 HG21 ' OE1' ' A' ' 99' ' ' GLN . 2.0 m -80.97 115.24 20.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.969 HG11 HG21 ' A' ' 68' ' ' THR . 2.0 t -70.42 174.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.568 ' H ' HG12 ' A' ' 65' ' ' VAL . 13.7 mmtt -126.73 128.29 46.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.567 ' C ' ' O ' ' A' ' 66' ' ' LYS . 20.0 pttt 26.9 84.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.969 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -160.85 126.65 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 33' ' ' LEU . 96.3 mt -81.82 -23.51 36.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -120.22 84.1 33.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.833 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.2 Cg_endo -74.99 132.8 15.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -117.43 102.55 9.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.735 ' CE3' HG22 ' A' ' 27' ' ' ILE . 5.0 m-90 -97.4 -46.09 6.21 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER 40.11 38.04 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' ' 26' ' ' THR . 0.1 OUTLIER -85.57 -177.97 6.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.5 m -131.28 146.26 52.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.528 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 55.3 m-85 -148.14 113.43 5.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.1 mt -98.11 133.25 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.523 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.5 m-85 -125.8 111.92 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.514 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -145.92 161.08 41.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.514 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -74.97 142.43 74.74 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.029 -0.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 23' ' ' LEU . 15.7 t -134.38 104.72 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -99.27 150.66 21.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.627 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -61.97 -13.04 21.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.97 -1.95 48.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -96.55 -30.48 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.337 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 7.4 m-30 -39.2 -33.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 89' ' ' GLU . 25.4 ttp85 -67.34 127.71 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 88' ' ' ARG . 37.2 mt-10 82.95 -45.47 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -83.98 107.4 16.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.788 ' CE ' HD12 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -119.66 161.1 21.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.897 HD12 HD21 ' A' ' 117' ' ' LEU . 2.5 mt -93.47 148.04 22.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.647 ' HB2' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -134.03 100.19 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.671 ' N ' HD12 ' A' ' 94' ' ' ILE . 1.9 mp -108.63 134.7 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.626 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -138.65 145.28 40.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.869 HD13 HG22 ' A' ' 46' ' ' VAL . 27.3 tp -111.3 131.35 55.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.482 ' CE2' ' HB ' ' A' ' 95' ' ' THR . 0.1 OUTLIER -139.53 167.75 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.016 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -118.55 114.82 23.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.618 ' OE1' HG21 ' A' ' 64' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 35.0 t80 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.515 0.198 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 110' ' ' LEU . 18.0 mt -82.51 -38.2 24.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.502 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 173.32 173.79 39.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.626 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.9 pt-20 -131.54 133.66 45.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.651 HD11 ' HG ' ' A' ' 131' ' ' LEU . 12.9 mt -122.67 109.75 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.788 HD12 ' CE ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -105.39 138.65 41.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.259 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.5 mp -136.72 126.77 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.471 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 37.1 mt-10 -87.25 118.74 26.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.897 HD21 HD12 ' A' ' 92' ' ' LEU . 14.8 mt -55.46 -33.0 63.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -55.62 -48.36 75.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.8 p -111.26 24.37 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.549 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -71.84 166.99 20.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.86 ' O ' HD12 ' A' ' 121' ' ' LEU . 2.3 pp -124.27 115.09 20.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.838 HD22 ' N ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -125.19 101.54 7.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -157.39 27.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.404 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 48.7 t0 55.07 44.08 28.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -120.87 121.88 28.68 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.693 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.02 124.09 8.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -123.55 144.81 49.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.565 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 93.8 m95 -99.03 104.96 17.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.019 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.604 ' OH ' HD11 ' A' ' 121' ' ' LEU . 86.4 m-85 -92.11 121.87 34.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -61.23 142.49 56.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.651 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -92.17 137.91 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.246 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -139.95 143.81 36.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.672 HD13 ' HB2' ' A' ' 30' ' ' ALA . 46.0 tp -129.56 141.28 51.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.595 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 75.4 m -105.56 109.81 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.04 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.641 HD11 HD23 ' A' ' 10' ' ' LEU . 6.2 mt -119.22 122.88 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.601 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.3 ttmt -103.09 114.47 28.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 19.6 mt -105.04 154.77 19.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.445 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 17.4 t-105 -158.39 156.81 31.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.011 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.61 ' HB2' HD13 ' A' ' 122' ' ' LEU . 25.0 t80 -123.68 122.95 39.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -100.88 80.0 2.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -17.06 16.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.4 t -57.89 -62.88 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.86 6.07 47.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.4 m80 60.49 57.93 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.566 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.62 133.53 47.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.777 ' HB2' HG11 ' A' ' 82' ' ' VAL . 8.7 tp -85.15 122.36 29.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.504 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.6 mp -96.74 133.52 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.466 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -145.69 107.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -104.48 130.98 52.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.448 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.021 HG22 ' CE3' ' A' ' 73' ' ' TRP . 50.4 mm -93.84 92.25 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.601 HD21 ' CE ' ' A' ' 13' ' ' LYS . 9.6 mt -56.44 -100.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.555 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -161.19 158.73 30.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.672 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -96.39 173.1 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -163.96 166.41 21.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 54.37 38.07 28.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.596 HD21 ' HB1' ' A' ' 30' ' ' ALA . 18.8 mt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -117.07 95.37 46.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 147.18 33.48 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.481 1.78 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.788 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -162.57 134.68 5.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.938 HG22 HD13 ' A' ' 96' ' ' LEU . 12.7 t -97.22 150.27 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -134.77 108.46 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.858 HD11 HG13 ' A' ' 27' ' ' ILE . 3.2 mt -90.9 150.84 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -155.01 98.44 2.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.713 ' CD2' HD21 ' A' ' 92' ' ' LEU . 40.1 t80 -74.66 117.36 16.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.499 ' HD2' ' CE1' ' A' ' 77' ' ' PHE . 9.4 mmt180 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.43 ' HG2' ' N ' ' A' ' 62' ' ' THR . 5.5 tmm_? -125.6 138.55 53.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.491 HG21 ' HB ' ' A' ' 27' ' ' ILE . 72.4 p -81.49 162.6 23.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -57.99 144.65 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.877 HG21 ' OE1' ' A' ' 99' ' ' GLN . 3.3 m -80.73 118.27 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.381 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.51 HG21 ' HB3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -88.6 134.71 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 67' ' ' LYS . 4.8 mttp -103.95 145.14 30.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 39.31 90.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 179.96 120.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.1 mt -85.98 -16.61 37.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.52 88.76 28.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.4 Cg_endo -75.0 -179.08 4.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.73 84.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 1.021 ' CE3' HG22 ' A' ' 27' ' ' ILE . 1.1 m-90 -77.28 -29.75 53.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.3 OUTLIER 35.22 36.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.695 ' O ' HG23 ' A' ' 26' ' ' THR . 3.6 mm-40 -83.86 177.14 8.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 m -128.93 140.66 51.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.499 ' CE1' ' HD2' ' A' ' 60' ' ' ARG . 27.4 m-85 -140.63 113.41 8.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.8 mt -96.94 144.94 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.485 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 12.3 m-85 -135.83 111.37 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.515 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.38 161.27 39.38 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.515 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.01 141.03 70.55 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.045 -0.031 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 23' ' ' LEU . 24.3 t -135.87 114.1 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -97.16 161.97 13.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.618 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -71.75 -40.79 69.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -6.49 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.24 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' OE1' ' NE ' ' A' ' 90' ' ' ARG . 1.8 mm-40 -92.52 -16.0 26.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -56.31 -33.59 65.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -89.83 4.98 48.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -105.07 -26.22 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 90' ' ' ARG . 0.5 OUTLIER -138.41 174.76 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.705 ' CE ' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -151.69 155.6 38.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.713 HD21 ' CD2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -92.29 154.3 18.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.649 ' HG3' HD11 ' A' ' 114' ' ' LEU . 19.4 tt0 -141.24 96.09 2.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.404 HD12 ' H ' ' A' ' 94' ' ' ILE . 4.5 mp -90.73 150.15 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.711 HG22 ' HB2' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -140.94 144.19 35.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.938 HD13 HG22 ' A' ' 46' ' ' VAL . 52.4 tp -131.26 137.3 48.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 0.0 OUTLIER -152.6 179.47 8.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 108.023 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -120.88 117.15 26.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.877 ' OE1' HG21 ' A' ' 64' ' ' THR . 2.1 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.462 ' CD1' ' CZ3' ' A' ' 97' ' ' TRP . 35.4 t80 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.539 0.209 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.1 mt -55.12 -25.53 32.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.42 ' O ' HD22 ' A' ' 131' ' ' LEU . . . 138.41 155.19 6.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.711 ' HB2' HG22 ' A' ' 95' ' ' THR . 1.0 OUTLIER -108.49 145.53 34.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.335 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.693 HG13 HD23 ' A' ' 131' ' ' LEU . 92.5 mt -115.99 101.45 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.705 HD23 ' CE ' ' A' ' 91' ' ' MET . 1.1 mp -92.81 147.07 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.535 HD11 HG22 ' A' ' 113' ' ' ILE . 2.0 mp -142.47 134.86 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.497 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 6.1 mt-10 -95.93 106.13 18.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.42 ' HA ' ' CB ' ' A' ' 120' ' ' ALA . 12.5 mt -41.42 -32.32 0.31 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -58.35 -54.04 51.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 33.6 p -102.02 22.51 12.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.451 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -75.36 132.44 40.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.57 88.04 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.61 HD13 ' HB2' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -89.33 121.69 31.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' ASP . 3.0 t0 -173.0 34.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' ASP . 25.5 t70 39.33 35.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.485 ' O ' ' CD2' ' A' ' 127' ' ' HIS . 6.8 mt-10 -109.96 128.89 24.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.487 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.04 122.89 7.47 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 73.8 m-70 -125.74 134.98 51.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.619 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.595 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 97.3 m95 -85.94 105.16 16.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 108.011 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 127' ' ' HIS . 33.2 m-85 -95.55 128.31 42.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.01 139.04 42.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.693 HD23 HG13 ' A' ' 113' ' ' ILE . 1.1 mt -85.41 156.32 20.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -137.76 132.41 32.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.565 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -117.52 137.99 52.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.454 ' H ' HD23 ' A' ' 10' ' ' LEU . 16.1 m -103.79 115.17 29.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.565 HD11 HD13 ' A' ' 10' ' ' LEU . 6.0 mt -125.45 128.78 72.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.599 ' CE ' HD21 ' A' ' 28' ' ' LEU . 3.3 ttmt -108.15 123.5 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.643 ' CB ' HD23 ' A' ' 122' ' ' LEU . 13.4 mt -115.18 153.65 30.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -158.14 145.32 17.99 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.779 ' HB2' HD13 ' A' ' 122' ' ' LEU . 22.3 t80 -106.42 133.15 51.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 21' ' ' HIS . 2.4 m-20 -113.36 84.08 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -18.85 42.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.8 t -52.84 -64.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.2 5.44 33.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' ASP . 15.5 m170 61.9 61.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.657 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.48 150.23 50.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.498 ' HB2' HG11 ' A' ' 82' ' ' VAL . 9.9 tp -99.09 116.89 32.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.7 mp -89.51 101.6 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.58 HG13 ' CD2' ' A' ' 14' ' ' LEU . 28.9 t -107.35 112.3 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.99 119.21 38.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.823 HG22 ' CE3' ' A' ' 73' ' ' TRP . 49.2 mm -88.6 91.58 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.632 HD11 ' HB3' ' A' ' 126' ' ' PRO . 16.9 mt -54.68 -98.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.558 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -157.88 171.19 34.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.36 155.14 25.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.566 ' CG ' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -144.05 165.46 27.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.416 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 72.0 m-20 55.26 54.59 8.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.49 HD22 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.72 ' NH1' HD21 ' A' ' 110' ' ' LEU . 1.1 ptp180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -115.55 88.66 20.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.86 43.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.567 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 2.0 p90 -170.53 124.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 1.025 HG22 HD13 ' A' ' 96' ' ' LEU . 44.5 t -78.04 163.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.456 ' N ' HG12 ' A' ' 46' ' ' VAL . 6.3 ttpt -149.23 116.66 6.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.777 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.4 mt -91.23 147.93 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -150.44 107.44 3.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -83.17 127.56 33.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.471 HD21 ' CB ' ' A' ' 93' ' ' GLU . 1.2 mm? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.529 ' HD2' ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 160.37 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.435 HG21 ' HB ' ' A' ' 27' ' ' ILE . 75.6 p -80.64 169.57 17.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.53 148.39 33.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.9 m -80.72 111.19 16.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.687 HG11 HG21 ' A' ' 68' ' ' THR . 1.0 OUTLIER -80.31 145.69 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -112.58 132.59 55.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm 43.47 91.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.687 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.36 112.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.424 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.49 ' O ' HD22 ' A' ' 33' ' ' LEU . 4.2 mm? -75.6 -19.28 59.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -126.96 86.06 59.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.479 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.99 145.43 31.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -131.55 96.35 3.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.823 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.0 m-90 -89.69 -43.88 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 107.981 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 41.31 35.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -86.4 -175.03 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -136.43 143.56 43.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.436 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.529 ' CE1' ' HD2' ' A' ' 60' ' ' ARG . 29.0 m-85 -138.87 113.34 8.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.4 mt -94.83 129.48 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.513 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 40.2 m-85 -124.48 111.79 16.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.544 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -145.39 162.53 36.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.04 141.8 72.82 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.977 0.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 17.3 t -134.5 108.0 10.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -96.81 166.82 11.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.577 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.463 ' HD2' ' CE2' ' A' ' 87' ' ' PHE . 1.5 tpt180 -79.62 -21.37 44.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.47 -8.61 59.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -93.59 -28.03 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 7.0 m-30 -40.44 -54.71 2.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.6 ttt85 -45.47 -53.63 8.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.44 44.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.432 ' C ' HD13 ' A' ' 117' ' ' LEU . 11.4 mtt180 -158.48 142.79 15.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.574 ' HA ' ' CD1' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -152.9 136.78 16.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.458 HD11 HD23 ' A' ' 23' ' ' LEU . 17.8 mt -92.35 137.53 32.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 9.5 tt0 -121.2 100.24 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.666 ' H ' HD12 ' A' ' 94' ' ' ILE . 1.8 mp -99.66 137.57 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.623 HG22 ' CB ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -138.58 145.96 41.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.364 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 1.025 HD13 HG22 ' A' ' 46' ' ' VAL . 21.3 tp -115.76 131.18 57.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.556 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 0.0 OUTLIER -140.58 175.06 9.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 108.045 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.83 97.19 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.493 ' HB2' ' CE3' ' A' ' 97' ' ' TRP . 73.8 t80 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.531 0.205 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.72 HD21 ' NH1' ' A' ' 42' ' ' ARG . 34.3 mt -92.24 -31.4 15.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 170.22 179.54 41.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.623 ' CB ' HG22 ' A' ' 95' ' ' THR . 4.0 pt-20 -139.56 144.18 37.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.288 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.614 HD11 ' HG ' ' A' ' 131' ' ' LEU . 18.3 mt -126.66 106.51 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.551 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 0.1 OUTLIER -94.12 132.66 38.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.4 mt -138.36 149.67 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 120' ' ' ALA . 8.2 mt-10 -114.86 141.36 48.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.707 ' N ' HD12 ' A' ' 117' ' ' LEU . 1.5 mp -80.28 -12.52 59.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -68.03 -31.98 72.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 82.4 p -125.81 -1.34 7.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 116' ' ' GLU . . . -43.01 135.09 3.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.04 87.05 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.779 HD13 ' HB2' ' A' ' 16' ' ' PHE . 4.3 mt -88.69 114.41 25.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -169.92 35.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.2 t0 40.91 35.77 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 127' ' ' HIS . 39.2 mt-10 -106.64 120.37 48.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.632 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.93 123.14 7.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 125' ' ' GLU . 53.9 m-70 -125.81 141.76 51.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.608 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.566 ' CZ3' ' CG ' ' A' ' 31' ' ' LYS . 80.6 m95 -86.95 105.35 17.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 107.996 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -90.43 125.21 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -72.06 144.31 48.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.614 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.1 mt -99.66 142.31 31.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.44 92.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.4 p -152.99 155.64 37.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.016 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.95 135.9 3.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -132.36 113.41 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 t -145.51 152.87 40.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.024 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.41 146.92 18.32 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.546 1.154 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.31 -122.74 4.76 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -141.99 146.4 35.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.848 HD13 ' HB2' ' A' ' 30' ' ' ALA . 45.5 tp -130.0 140.48 50.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.453 ' HB2' ' CH2' ' A' ' 128' ' ' TRP . 2.0 t -103.46 119.09 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mt -128.05 128.36 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.738 ' CE ' HD21 ' A' ' 28' ' ' LEU . 8.0 ttmt -100.89 114.21 27.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.472 ' HB3' HD23 ' A' ' 122' ' ' LEU . 74.8 mt -106.31 151.37 24.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.517 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 41.9 t-105 -158.61 153.65 25.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 107.985 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.449 ' CD1' ' CZ ' ' A' ' 87' ' ' PHE . 31.9 t80 -125.18 110.82 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.76 86.36 7.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -20.25 65.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 88.8 t -55.14 -72.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.79 4.05 81.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 31.4 m170 62.67 59.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.595 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.62 142.48 50.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.832 HD21 HD11 ' A' ' 92' ' ' LEU . 4.7 tp -94.21 121.29 35.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.523 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.5 mp -98.6 143.02 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.636 HG13 ' HB2' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -158.45 101.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.748 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -96.39 125.75 41.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.402 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.98 HG22 ' CE3' ' A' ' 73' ' ' TRP . 47.1 mm -88.36 91.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.738 HD21 ' CE ' ' A' ' 13' ' ' LYS . 13.6 mt -55.41 -99.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.589 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.88 166.88 35.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.848 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -104.91 164.77 11.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.562 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.32 167.65 29.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 51.22 44.56 28.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.621 HD21 ' HB1' ' A' ' 30' ' ' ALA . 19.0 mt -83.83 153.66 64.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 110.74 3.18 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.534 1.807 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.627 ' HB2' HD13 ' A' ' 69' ' ' LEU . 7.8 t -108.31 -168.32 1.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.971 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -102.97 -176.77 3.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 32.0 mt-10 -96.9 -88.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -106.96 56.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -136.09 -120.28 1.97 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -141.24 162.17 49.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.569 1.826 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' NH1' ' CD2' ' A' ' 110' ' ' LEU . 4.8 ptp180 -138.91 -178.92 5.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -114.34 92.17 26.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 149.84 37.54 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.2 p90 -162.55 133.43 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.705 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 3.5 t -88.15 162.56 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -149.62 108.06 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.868 HD11 HG13 ' A' ' 27' ' ' ILE . 3.3 mt -91.44 152.6 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 0.4 OUTLIER -153.54 98.18 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.463 ' HE1' HD11 ' A' ' 117' ' ' LEU . 55.3 t80 -70.78 98.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.53 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -70.12 156.35 91.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 -169.44 7.35 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.019 -0.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.1 t70 78.98 128.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.45 84.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.69 -51.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.976 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -179.67 -160.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.79 -82.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.162 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.8 p30 -94.7 36.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 7.7 ttpt -111.1 128.64 55.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 27.8 mmt180 -119.38 134.29 55.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -135.84 152.47 51.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.5 p -99.26 164.8 11.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 110.398 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -61.95 143.38 56.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 m -80.35 112.62 17.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.723 HG11 HG21 ' A' ' 68' ' ' THR . 1.3 t -79.23 142.8 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -109.31 135.86 49.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.1 mttt 41.05 89.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.723 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.08 111.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.427 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.627 HD13 ' HB2' ' A' ' 35' ' ' SER . 32.0 mt -76.25 -17.49 59.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 6.3 mt-10 -128.45 85.94 59.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.4 Cg_endo -74.97 159.98 40.79 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.808 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -145.56 93.08 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.98 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.9 m-90 -87.87 -42.69 12.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 107.987 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.5 OUTLIER 38.47 36.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.748 ' O ' HG23 ' A' ' 26' ' ' THR . 2.9 mm-40 -83.02 -174.87 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.549 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 16.0 m -132.43 143.72 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.636 ' HB2' HG13 ' A' ' 25' ' ' VAL . 23.9 m-85 -143.93 117.15 8.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.9 mt -107.61 131.06 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.52 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 8.8 m-85 -122.14 112.26 17.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.496 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.27 160.69 41.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.496 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.1 Cg_endo -75.02 141.25 71.18 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.975 0.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.818 HG11 ' HB2' ' A' ' 23' ' ' LEU . 16.0 t -134.1 120.81 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.46 ' CD2' ' N ' ' A' ' 83' ' ' HIS . 2.5 m170 -102.0 160.89 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.625 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 49.4 tpt85 -68.85 -35.33 76.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -20.36 59.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.092 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.4 mm-40 -71.65 -33.47 68.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.522 ' CG ' ' HB3' ' A' ' 117' ' ' LEU . 6.2 m-30 -43.05 -34.78 1.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -62.74 -43.82 97.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 86' ' ' GLU . 33.1 mt-10 -98.56 6.92 46.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -129.84 117.69 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.476 ' HE2' HD13 ' A' ' 114' ' ' LEU . 2.8 ttt -129.07 145.99 51.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.832 HD11 HD21 ' A' ' 23' ' ' LEU . 8.9 mt -92.8 151.95 19.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.508 ' HG3' HD21 ' A' ' 114' ' ' LEU . 14.6 tt0 -140.34 98.91 3.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.696 ' N ' HD12 ' A' ' 94' ' ' ILE . 1.6 mp -100.76 144.85 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.523 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -146.19 136.66 23.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.546 HD13 HG22 ' A' ' 46' ' ' VAL . 20.8 tp -104.87 129.79 53.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.582 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -134.8 -178.22 4.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.045 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 3.1 t0 -132.52 125.85 31.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.8 78.01 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.34 -82.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -57.48 177.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.0 p -121.84 148.35 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 45.58 47.63 11.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.48 -175.72 5.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -120.36 34.36 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.6 78.08 8.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.86 147.98 22.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.961 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 109' ' ' PHE . 8.5 pt-20 -101.68 -7.81 22.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 111' ' ' GLY . 48.5 t80 55.54 111.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.413 ' CD2' ' NH1' ' A' ' 42' ' ' ARG . 68.8 mt -88.69 -27.42 21.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.434 ' O ' ' CE1' ' A' ' 109' ' ' PHE . . . 166.65 -178.89 40.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.523 ' CB ' HG22 ' A' ' 95' ' ' THR . 1.7 pt-20 -138.38 137.89 37.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.458 HD11 ' HG ' ' A' ' 131' ' ' LEU . 25.3 mt -123.77 110.96 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.508 HD21 ' HG3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -104.22 132.51 50.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.559 HD12 HD13 ' A' ' 94' ' ' ILE . 4.2 mt -136.39 124.63 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 120' ' ' ALA . 18.1 mt-10 -92.19 115.29 27.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.57 HD21 HD12 ' A' ' 92' ' ' LEU . 26.3 mt -49.5 -30.35 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -56.43 -51.84 66.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.0 p -111.25 25.87 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 110.413 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.458 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -76.99 116.37 17.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -70.95 90.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.4 mt -96.64 116.97 30.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.98 23.73 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.517 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 27.2 t70 47.97 45.8 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.71 150.59 76.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.96 124.5 8.69 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.564 1.823 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 129' ' ' TYR . 0.3 OUTLIER -126.0 135.15 51.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.596 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 96.7 m95 -95.69 113.76 25.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 127' ' ' HIS . 75.2 m-85 -105.34 111.82 24.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.94 147.98 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.458 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -93.06 142.1 27.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -111.59 128.71 56.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 54.7 p -120.95 82.09 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.42 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -156.93 101.08 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.631 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -49.41 152.36 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.4 m 66.69 110.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -128.8 169.01 20.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.49 29.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.42 127.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.58 158.98 11.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -121.04 91.71 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.43 93.95 0.22 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.99 166.31 0.48 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.53 132.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 p -147.11 162.14 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.84 161.01 26.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.9 -118.33 2.77 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -137.32 147.72 45.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.654 HD13 ' HB2' ' A' ' 30' ' ' ALA . 23.6 tp -128.53 142.47 51.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 m -103.24 115.88 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.22 123.08 61.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.645 ' CE ' HD21 ' A' ' 28' ' ' LEU . 7.0 ttmt -99.79 115.22 29.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.632 ' HB3' HD23 ' A' ' 122' ' ' LEU . 63.7 mt -108.42 148.78 29.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.434 ' CE3' ' HB3' ' A' ' 124' ' ' ASP . 37.0 t-105 -158.0 144.51 17.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 107.994 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.503 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 49.1 t80 -111.39 120.55 42.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -95.78 98.25 10.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -21.25 61.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.3 t -51.66 -71.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.27 3.9 58.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.9 m170 64.45 59.78 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.757 . . . . 0.0 109.6 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.1 150.74 49.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.596 ' HB2' HG11 ' A' ' 82' ' ' VAL . 13.0 tp -100.41 119.54 38.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.54 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.4 mp -93.02 109.51 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.42 HG22 ' CD2' ' A' ' 14' ' ' LEU . 65.0 t -115.87 113.2 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -114.51 121.86 44.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.379 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.975 HG22 ' CE3' ' A' ' 73' ' ' TRP . 51.1 mm -91.32 93.16 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.645 HD21 ' CE ' ' A' ' 13' ' ' LYS . 11.6 mt -58.1 -98.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.57 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.93 166.26 35.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.654 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -96.79 173.83 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.597 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.23 142.92 18.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 59.37 68.81 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 2.2 mp -101.29 158.44 31.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.509 ' HG2' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.07 120.34 6.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.787 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 t -95.44 171.57 8.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.031 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -111.47 77.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 36' ' ' ARG . 3.4 mt-10 52.16 174.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -74.02 58.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -125.3 -82.49 0.49 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.2 mmt-85 -143.68 150.04 49.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.478 ' HG2' ' CB ' ' A' ' 67' ' ' LYS . 18.3 Cg_endo -74.98 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.809 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' NE ' ' O ' ' A' ' 34' ' ' PRO . 1.2 ptp180 -129.85 -173.9 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -116.31 86.24 17.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 149.33 36.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.443 1.759 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 2.7 p90 -161.33 135.25 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.714 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 8.4 t -90.27 159.34 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.628 ' CD ' ' CE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -149.31 110.87 4.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.672 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.6 mt -91.83 154.59 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.628 ' CE2' ' CD ' ' A' ' 47' ' ' LYS . 1.1 m-85 -154.68 98.68 2.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.477 ' CE2' ' HG2' ' A' ' 90' ' ' ARG . 26.4 t80 -68.3 96.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.502 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 4.4 mp -70.58 160.22 82.33 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.97 -171.62 9.63 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.052 -2.478 . . . . 0.0 110.986 -0.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.463 ' O ' ' CG ' ' A' ' 54' ' ' ARG . 8.4 m-20 60.24 166.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.545 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 4.9 mtm105 -160.67 94.88 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.69 175.41 10.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.22 -27.65 9.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.65 -54.43 33.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -129.7 59.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.47 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 2.0 ttpt -126.28 120.39 29.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.548 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 25.9 mmt180 -123.21 121.31 35.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 62' ' ' THR . 17.4 ttm180 -131.77 138.68 48.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.423 HG21 ' HB ' ' A' ' 27' ' ' ILE . 69.8 p -81.45 165.2 21.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.58 144.22 48.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.4 m -80.65 112.37 17.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.359 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.775 HG11 HG21 ' A' ' 68' ' ' THR . 1.4 t -79.55 144.88 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -116.93 129.41 56.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 18.9 mtpt 50.78 87.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.775 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -177.69 113.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.42 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 54.2 mt -74.93 -19.46 60.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' HG3' ' HA ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -129.41 88.67 49.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -74.98 147.73 34.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -133.07 94.73 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.975 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.9 m-90 -88.38 -42.67 12.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 108.058 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER 38.31 37.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 26' ' ' THR . 2.4 mm100 -88.31 179.81 6.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.258 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -131.91 149.16 52.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.548 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 31.8 m-85 -146.44 113.6 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.7 mt -96.54 125.12 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.524 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.1 m-85 -119.18 112.55 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.521 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.35 161.4 38.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.521 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.0 141.51 71.98 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.994 0.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.596 HG11 ' HB2' ' A' ' 23' ' ' LEU . 9.6 t -131.9 110.68 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.487 ' CD2' ' N ' ' A' ' 83' ' ' HIS . 2.5 m170 -90.72 163.03 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.627 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.503 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 9.6 tpt180 -74.37 -30.5 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -16.78 39.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.0 OUTLIER -77.6 -8.84 58.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.465 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 5.4 m-30 -60.3 -55.34 34.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -61.51 -14.73 31.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -102.23 -15.94 16.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.477 ' HG2' ' CE2' ' A' ' 50' ' ' PHE . 2.8 mpt_? -134.16 118.28 17.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.484 ' HE2' HD13 ' A' ' 114' ' ' LEU . 3.2 ttt -115.66 147.89 40.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.576 HD12 HD21 ' A' ' 117' ' ' LEU . 10.5 mt -92.44 152.18 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.461 ' HG3' HD21 ' A' ' 114' ' ' LEU . 13.1 tt0 -145.0 93.13 2.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 94' ' ' ILE . 2.8 mp -92.13 147.63 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.508 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -147.25 137.2 23.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.582 HD13 HG22 ' A' ' 46' ' ' VAL . 23.0 tp -103.84 132.83 49.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.579 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -139.54 170.6 15.62 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -121.7 120.07 33.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.43 82.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.94 179.25 6.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.1 163.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 99.4 t -93.09 -56.03 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -110.29 58.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -173.91 176.79 2.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -94.11 -58.35 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 38.84 64.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.1 p -77.11 126.74 31.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.047 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -97.02 -7.65 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.569 ' CE1' ' O ' ' A' ' 111' ' ' GLY . 66.5 t80 51.51 102.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.509 HD22 ' HG2' ' A' ' 34' ' ' PRO . 68.5 mt -76.17 -31.66 58.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.569 ' O ' ' CE1' ' A' ' 109' ' ' PHE . . . 170.04 -167.87 40.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.508 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.7 pt-20 -145.45 144.34 30.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.52 HG13 HD23 ' A' ' 131' ' ' LEU . 80.4 mt -128.72 108.76 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.484 HD13 ' HE2' ' A' ' 91' ' ' MET . 0.1 OUTLIER -102.24 131.05 49.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.248 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.452 HD12 HD13 ' A' ' 94' ' ' ILE . 3.9 mt -136.94 123.95 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -91.17 108.89 20.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.576 HD21 HD12 ' A' ' 92' ' ' LEU . 11.9 mt -43.27 -33.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -54.18 -51.64 63.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.3 p -110.3 29.19 7.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -83.35 113.07 20.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -67.84 93.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.632 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.2 mt -97.27 117.93 32.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.401 ' CB ' ' OE2' ' A' ' 125' ' ' GLU . 0.2 OUTLIER -158.17 26.0 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.434 ' HB3' ' CE3' ' A' ' 15' ' ' TRP . 5.7 p-10 44.93 51.65 8.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 125' ' ' GLU . 0.2 OUTLIER -133.61 146.51 60.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.288 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.487 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 122.07 6.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 129' ' ' TYR . 0.4 OUTLIER -121.24 142.64 49.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.597 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 80.2 m95 -97.68 105.83 18.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 107.998 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 127' ' ' HIS . 47.6 m-85 -98.83 122.35 41.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -68.95 141.23 55.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.52 HD23 HG13 ' A' ' 113' ' ' ILE . 1.6 mt -82.91 148.94 27.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -117.83 122.42 43.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 73.0 p -108.56 89.83 3.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -175.7 131.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.604 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -80.44 112.59 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.6 t -171.89 149.58 2.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.29 169.21 21.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 74.45 4.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.6 143.83 25.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 75.6 m 59.11 105.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 p -46.56 163.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.016 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 m -165.16 -49.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.961 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.44 157.31 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.7 p -110.45 172.51 6.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 0.785 . . . . 0.0 110.027 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t -176.99 135.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.034 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.41 -177.62 19.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.15 -110.24 0.41 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -141.95 140.51 32.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.497 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -124.33 143.85 50.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.596 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 33.3 m -112.24 114.84 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.497 HD11 HD13 ' A' ' 10' ' ' LEU . 4.5 mt -125.63 128.23 72.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.665 ' CE ' HD21 ' A' ' 28' ' ' LEU . 4.3 ttmt -104.98 114.83 29.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 16.0 mt -108.08 153.29 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -158.28 152.2 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 108.027 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.632 ' HB2' HD13 ' A' ' 122' ' ' LEU . 32.1 t80 -121.03 119.88 33.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -95.45 91.16 6.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -19.98 66.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.1 t -54.92 -71.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.65 3.45 61.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 63.89 55.08 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.605 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.51 ' HB3' HG23 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -119.62 135.11 54.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.731 ' HB2' HG11 ' A' ' 82' ' ' VAL . 23.8 tp -89.4 119.15 29.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.4 mp -95.46 145.85 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' A' ' 77' ' ' PHE . 0.8 OUTLIER -160.51 97.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -95.71 126.22 40.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.422 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.765 HG22 ' CE3' ' A' ' 73' ' ' TRP . 40.1 mm -87.95 93.55 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.665 HD21 ' CE ' ' A' ' 13' ' ' LYS . 15.6 mt -56.35 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.583 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -159.63 170.43 35.85 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 70' ' ' GLU . . . -111.59 162.09 15.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.585 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -144.73 157.38 44.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.03 73.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.962 HD22 ' O ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -110.79 156.31 40.88 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 112.51 3.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.811 ' CB ' HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -111.26 -33.14 6.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER 83.88 -15.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 6.2 mt-10 50.98 176.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 2.5 t0 82.63 -49.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.84 -119.97 4.69 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.492 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -131.06 161.74 59.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 40' ' ' ARG . 18.2 Cg_endo -74.99 -174.67 2.02 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.568 ' NH1' HD21 ' A' ' 110' ' ' LEU . 3.7 ptp180 -112.34 -174.31 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 2.3 m-20 -112.35 94.94 29.01 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.17 31.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.464 1.771 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.4 p90 -177.5 124.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.741 HG22 HD13 ' A' ' 96' ' ' LEU . 7.9 t -83.93 158.55 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.539 ' CD ' ' CE2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -148.84 108.27 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.656 HD11 HG13 ' A' ' 27' ' ' ILE . 2.2 mt -92.0 159.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.55 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 1.5 m-85 -154.34 98.77 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.559 ' CZ ' ' HD2' ' A' ' 90' ' ' ARG . 47.7 t80 -68.56 89.67 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.538 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -55.82 156.67 9.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.07 -21.38 15.43 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.957 0.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -50.74 115.62 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.442 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 4.6 ttp180 -126.51 58.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.56 175.57 13.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 57' ' ' LYS . 4.1 p30 -47.79 173.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER 81.84 -62.54 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -105.82 20.99 18.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 2.8 ttmt -113.38 101.27 9.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -87.26 125.21 34.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -131.6 135.79 47.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.338 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.441 HG21 HG21 ' A' ' 27' ' ' ILE . 77.2 p -84.47 163.0 19.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -59.46 143.23 50.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -80.26 109.76 15.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.721 HG11 HG21 ' A' ' 68' ' ' THR . 1.1 t -79.75 141.61 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HD3' ' ND2' ' A' ' 43' ' ' ASN . 5.0 mmtp -113.4 134.4 54.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.48 ' CA ' ' HG2' ' A' ' 41' ' ' PRO . 9.4 mtpm? 47.66 85.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.721 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.78 114.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.962 ' O ' HD22 ' A' ' 33' ' ' LEU . 30.0 mt -78.87 -17.82 54.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 3.5 mt-10 -126.43 83.59 64.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.6 Cg_endo -74.96 146.21 32.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.431 1.753 . . . . 0.0 111.005 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -130.75 98.71 4.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.765 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.6 m-90 -91.91 -44.82 8.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 108.002 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.7 OUTLIER 40.27 37.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.849 ' O ' HG23 ' A' ' 26' ' ' THR . 2.5 mm100 -84.81 -177.67 6.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.443 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 2.2 m -130.9 146.75 52.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' HB2' HG13 ' A' ' 25' ' ' VAL . 30.4 m-85 -148.55 121.41 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.51 HG23 ' HB3' ' A' ' 22' ' ' GLN . 5.8 mt -108.94 144.48 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.529 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.1 m-85 -135.71 109.01 7.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.491 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.32 160.57 41.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.964 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -74.97 142.02 73.51 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.059 -0.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.731 HG11 ' HB2' ' A' ' 23' ' ' LEU . 14.0 t -133.76 112.31 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.85 170.04 11.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.624 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.545 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 8.4 tpt180 -80.55 -32.49 36.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -11.18 59.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.17 -5.35 57.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 90' ' ' ARG . 4.6 m-30 -63.77 -51.4 65.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -66.25 -15.11 62.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -99.16 -19.91 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.559 ' HD2' ' CZ ' ' A' ' 50' ' ' PHE . 22.7 mtt85 -128.13 120.96 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.561 ' HE3' ' HG2' ' A' ' 116' ' ' GLU . 3.1 ttt -119.09 149.96 40.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.516 HD11 HD21 ' A' ' 23' ' ' LEU . 10.5 mt -92.3 153.52 19.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.569 ' HG3' HD21 ' A' ' 114' ' ' LEU . 10.6 tt0 -141.21 96.44 2.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.575 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.2 mp -96.58 140.57 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.583 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.6 OUTLIER -143.5 142.29 31.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.741 HD13 HG22 ' A' ' 46' ' ' VAL . 21.1 tp -111.78 142.33 44.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.581 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -145.94 -167.27 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 108.012 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -145.24 119.1 9.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.08 120.89 24.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -121.28 -175.91 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 48.75 -176.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 32.2 m -111.16 -36.63 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -110.61 -79.35 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.82 126.34 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -40.11 -60.55 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 40.22 54.22 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.89 117.47 30.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.67 127.01 39.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.527 ' CZ ' ' C ' ' A' ' 111' ' ' GLY . 75.5 t80 -77.7 125.61 29.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.649 ' O ' HG22 ' A' ' 133' ' ' THR . 84.0 mt -94.45 -38.4 10.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.527 ' C ' ' CZ ' ' A' ' 109' ' ' PHE . . . 175.56 -177.93 47.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.583 ' CB ' HG22 ' A' ' 95' ' ' THR . 1.5 pt-20 -144.67 131.4 20.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.486 HD11 ' HG ' ' A' ' 131' ' ' LEU . 34.6 mt -117.01 102.66 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.569 HD21 ' HG3' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -95.98 132.19 41.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.484 HD12 HD13 ' A' ' 94' ' ' ILE . 3.8 mt -137.51 136.1 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.561 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 3.4 mt-10 -103.86 123.38 47.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.514 HD13 HD22 ' A' ' 23' ' ' LEU . 11.9 mt -51.18 -29.17 13.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -50.82 -52.29 42.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.9 p -120.2 31.53 6.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.45 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -72.31 140.6 48.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.98 89.24 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 16' ' ' PHE . 5.5 mt -104.05 107.26 18.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 124' ' ' ASP . 2.0 t0 -173.18 34.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 123' ' ' ASP . 19.6 t0 39.12 48.39 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 4.7 mt-10 -126.95 129.15 24.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 110.233 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.588 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 123.13 7.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -126.13 132.64 51.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.596 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 90.0 m95 -81.81 105.69 13.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 107.978 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -92.02 132.45 36.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -71.85 141.71 49.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.486 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -90.59 140.21 29.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -102.16 117.27 34.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.649 HG22 ' O ' ' A' ' 110' ' ' LEU . 21.6 p -111.04 165.87 11.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -42.32 122.24 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.602 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.16 95.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -41.82 159.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -137.97 174.6 21.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -52.27 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.7 t -178.21 106.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.5 t 61.46 111.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 p -163.46 116.55 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.71 138.56 28.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.04 -162.39 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.48 1.112 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 p -164.93 81.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 0.793 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t 43.4 85.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.63 179.95 7.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.37 -125.23 3.91 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -129.12 138.65 51.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.552 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -117.14 138.72 51.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.58 ' OG ' ' CH2' ' A' ' 128' ' ' TRP . 31.1 m -101.28 113.09 25.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.552 HD11 HD13 ' A' ' 10' ' ' LEU . 7.1 mt -126.14 124.52 66.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.629 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.6 ttmt -104.39 116.46 32.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.691 ' CD2' HG22 ' A' ' 25' ' ' VAL . 21.4 mt -109.72 153.6 24.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 19.1 t-105 -158.45 154.7 27.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.004 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.551 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 37.8 t80 -119.99 120.89 37.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.16 86.79 3.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -18.71 58.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.097 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.0 t -55.15 -69.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.66 4.93 61.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.0 m80 59.61 60.15 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.628 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.506 ' CB ' HG23 ' A' ' 78' ' ' ILE . 1.2 mt-30 -129.92 153.84 47.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HB2' HG11 ' A' ' 82' ' ' VAL . 11.7 tp -101.89 115.89 31.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.513 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.6 mp -89.84 101.63 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.691 HG22 ' CD2' ' A' ' 14' ' ' LEU . 39.7 t -107.77 106.14 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -103.09 123.3 46.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.374 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.879 HG22 ' CE3' ' A' ' 73' ' ' TRP . 42.4 mm -94.4 91.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.629 HD21 ' CE ' ' A' ' 13' ' ' LYS . 15.0 mt -55.15 -100.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.579 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -159.73 165.91 34.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.49 155.75 18.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.556 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -145.12 165.49 28.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 52.29 54.26 11.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -94.96 155.28 39.27 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 133.98 17.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.49 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . 87.1 p -124.41 -174.5 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 61.58 136.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 178.46 -68.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -127.21 36.62 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.67 23.92 76.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -124.41 162.27 43.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.265 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.599 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 18.4 Cg_endo -74.96 -90.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.766 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.599 ' CG ' ' O ' ' A' ' 41' ' ' PRO . 0.2 OUTLIER 166.2 154.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 98' ' ' ASP . 70.0 m-20 -120.34 78.86 27.56 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.437 ' HG2' ' HG3' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -74.98 153.1 41.63 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.619 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 1.5 p90 -175.68 120.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.584 HG23 ' CH2' ' A' ' 73' ' ' TRP . 3.1 t -79.67 157.91 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 61' ' ' ARG . 2.9 ttmm -146.2 111.74 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.802 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.3 mt -90.62 134.24 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -138.07 98.13 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.441 ' CZ ' HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -73.72 125.5 28.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.533 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -103.73 155.84 36.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.535 ' O ' ' CB ' ' A' ' 53' ' ' ASP . 18.4 Cg_endo -74.98 130.52 21.48 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.945 -2.523 . . . . 0.0 111.012 -0.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 6.0 m-20 153.21 98.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -109.76 37.27 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.78 -178.77 5.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 57' ' ' LYS . 3.5 m-20 -54.05 -178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER 86.52 -77.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.439 ' OD1' ' CE1' ' A' ' 79' ' ' TYR . 5.3 t-20 -93.69 24.44 4.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 1.9 ttpt -115.93 127.02 54.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.91 120.95 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.411 ' HB3' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -123.17 162.3 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.544 HG21 ' CG2' ' A' ' 27' ' ' ILE . 45.3 p -82.87 164.3 20.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -59.31 146.48 39.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -81.02 115.14 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.437 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -91.47 135.58 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -113.68 136.03 53.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt 59.87 73.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.481 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.8 OUTLIER -176.8 114.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.559 ' O ' HD22 ' A' ' 33' ' ' LEU . 39.1 mt -81.39 -18.69 44.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.45 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.6 mt-10 -127.28 84.48 63.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.543 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.96 160.52 40.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -141.96 90.91 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.879 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.4 m-90 -84.58 -40.43 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 107.94 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.3 OUTLIER 36.97 34.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' TRP . 1.9 mm100 -86.82 -179.53 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 m -132.9 148.19 52.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -140.52 113.05 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.506 HG23 ' CB ' ' A' ' 22' ' ' GLN . 58.8 mt -95.35 111.92 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.468 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.4 OUTLIER -107.6 112.84 25.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.547 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -145.53 162.72 35.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.547 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.01 142.06 73.62 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.003 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.555 HG11 ' HB2' ' A' ' 23' ' ' LEU . 24.3 t -136.81 105.29 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -91.03 165.19 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.562 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.551 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 9.6 tpt180 -78.8 -22.5 46.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.36 -1.42 55.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -102.01 -11.57 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.461 ' CE2' ' HD2' ' A' ' 84' ' ' ARG . 4.4 m-30 -60.39 -39.44 87.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -84.54 4.56 31.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' O ' ' NE ' ' A' ' 90' ' ' ARG . 32.8 mt-10 -124.35 4.61 8.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 0.3 OUTLIER -151.66 154.49 36.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 2.2 ttt -143.51 148.95 36.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.549 HD12 HD21 ' A' ' 117' ' ' LEU . 6.4 mt -93.01 148.63 21.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.418 ' HG3' HD21 ' A' ' 114' ' ' LEU . 12.2 tt0 -133.61 98.55 4.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.704 ' N ' HD12 ' A' ' 94' ' ' ILE . 2.2 mp -101.82 146.09 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.571 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -144.61 152.63 40.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.584 HD13 HG22 ' A' ' 46' ' ' VAL . 31.2 tp -116.25 130.74 56.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.567 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -133.96 169.36 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.01 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' ASN . 2.0 t0 -124.02 102.16 7.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.98 106.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.0 -175.01 4.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.425 ' CG ' ' HB2' ' A' ' 106' ' ' GLU . 2.7 mmm180 43.5 -162.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 110.338 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.1 m -124.25 170.75 14.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.3 mtt85 51.64 24.91 2.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 51.36 93.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -127.4 -60.27 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.425 ' HB2' ' CG ' ' A' ' 101' ' ' ARG . 0.6 OUTLIER -106.79 151.41 25.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 m -136.55 116.64 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.35 134.26 35.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 97' ' ' TRP . 13.2 t80 -84.03 125.45 32.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.0 mt -94.07 -57.43 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -159.36 176.57 36.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.571 ' CB ' HG22 ' A' ' 95' ' ' THR . 0.4 OUTLIER -135.71 144.78 46.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.564 HD11 ' HG ' ' A' ' 131' ' ' LEU . 17.0 mt -129.54 112.01 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.465 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -103.04 131.64 49.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.3 mt -136.62 125.06 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 120' ' ' ALA . 18.4 mt-10 -88.26 123.17 32.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.549 HD21 HD12 ' A' ' 92' ' ' LEU . 15.0 mt -53.0 -31.15 39.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.4 -50.79 71.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.3 p -102.68 22.24 14.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.449 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -74.11 102.5 4.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -64.78 87.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.2 mt -90.93 120.59 32.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -157.97 26.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.562 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 53.0 t0 41.32 39.66 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.64 149.34 64.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.485 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 124.32 8.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -126.1 131.17 52.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.608 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.58 ' CH2' ' OG ' ' A' ' 11' ' ' SER . 96.8 m95 -88.02 117.45 26.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 107.984 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.438 ' OH ' HD11 ' A' ' 121' ' ' LEU . 66.9 m-85 -107.45 115.25 29.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -58.05 142.23 47.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.564 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.9 OUTLIER -93.35 146.87 23.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -120.64 121.33 38.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.245 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 23.8 p -109.58 -53.81 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.8 57.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -59.72 163.99 4.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 9.9 p -179.21 117.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 125.78 175.48 14.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 165.97 30.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.1 t -150.25 103.44 3.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.9 118.89 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.19 166.88 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.75 119.01 16.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.58 148.28 11.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t -152.11 78.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 0.732 . . . . 0.0 110.033 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p -168.14 100.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.47 ' CA ' ' HB2' ' A' ' 131' ' ' LEU . . . -50.32 146.05 9.0 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . -89.79 -130.72 4.22 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -147.37 128.75 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.588 ' HB2' HD11 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -117.98 141.69 48.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.473 ' H ' HD23 ' A' ' 10' ' ' LEU . 66.1 m -105.42 111.17 23.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.483 HD11 HD13 ' A' ' 10' ' ' LEU . 5.2 mt -123.69 122.1 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.504 ' HE2' HD21 ' A' ' 28' ' ' LEU . 3.3 ttmt -103.96 114.83 29.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.629 ' CB ' HD23 ' A' ' 122' ' ' LEU . 12.2 mt -107.2 155.07 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.442 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 10.6 t-105 -157.29 147.4 20.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.408 ' HE1' HG12 ' A' ' 82' ' ' VAL . 46.8 t80 -117.26 128.09 54.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -106.04 91.69 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -20.35 66.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.0 t -50.53 -68.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.54 8.11 47.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.9 m80 60.62 53.31 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.573 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.412 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -121.74 118.9 30.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.919 ' HB2' HG11 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -76.52 126.89 31.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.863 ' N ' HD22 ' A' ' 23' ' ' LEU . 1.7 mp -99.21 131.18 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.787 HG23 ' CD1' ' A' ' 23' ' ' LEU . 48.2 t -130.58 119.96 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.34 129.1 54.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.394 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.948 HG13 HD11 ' A' ' 48' ' ' ILE . 48.1 mm -101.51 88.43 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 126' ' ' PRO . 12.1 mt -52.1 -99.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.566 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.59 171.55 35.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.27 155.64 21.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.561 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -143.83 161.63 38.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 58.75 59.89 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.557 ' HG ' HD13 ' A' ' 110' ' ' LEU . 0.5 OUTLIER -100.39 163.57 17.97 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.543 ' CG ' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -74.99 123.21 7.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.789 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.887 ' CB ' HD21 ' A' ' 69' ' ' LEU . 5.9 p -130.36 -166.14 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.527 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 2.5 mtm180 53.22 -174.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 1.3 tt0 88.07 -73.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.56 -1.56 57.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.57 -56.4 4.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.145 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -78.45 157.53 77.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.499 ' HG2' ' CB ' ' A' ' 67' ' ' LYS . 18.2 Cg_endo -75.01 -95.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.512 ' NH1' HD21 ' A' ' 110' ' ' LEU . 2.4 ptp180 158.77 -179.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -117.2 86.03 20.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 138.84 23.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.7 p90 -150.98 131.88 14.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.597 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 13.0 t -83.65 163.1 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 4.2 ttpt -147.81 109.53 4.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.948 HD11 HG13 ' A' ' 27' ' ' ILE . 3.3 mt -90.65 152.07 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.618 ' O ' HD13 ' A' ' 51' ' ' LEU . 6.6 m-85 -151.77 98.48 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -67.31 92.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 49' ' ' TYR . 4.5 mp -73.89 154.8 88.96 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -74.97 133.0 29.42 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.981 -0.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 54' ' ' ARG . 4.1 t70 174.8 168.74 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.148 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' CB ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER 160.02 72.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.1 -48.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 57' ' ' LYS . 0.4 OUTLIER 172.27 -175.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER 82.69 -76.06 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -92.38 19.22 7.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 4.0 ttmt -94.93 108.48 20.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.591 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -118.59 140.59 49.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 62' ' ' THR . 13.6 ttp180 -139.73 142.7 36.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 61' ' ' ARG . 59.9 p -81.22 162.82 23.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -57.28 141.77 45.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.9 m -80.09 111.06 16.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.405 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.786 HG11 HG21 ' A' ' 68' ' ' THR . 1.5 t -74.03 149.33 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -112.8 118.69 35.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.499 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 61.1 mtpt 50.19 97.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.786 HG21 HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -177.99 110.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.887 HD21 ' CB ' ' A' ' 35' ' ' SER . 2.1 mp -67.51 -23.35 65.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 4.5 mt-10 -128.11 90.67 46.7 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.576 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -75.01 145.21 31.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -131.49 96.32 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.682 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.4 m-90 -91.19 -47.9 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.019 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' ILE . 2.7 m120 40.4 48.63 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -93.47 179.46 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.6 m -125.65 146.37 49.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.432 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.591 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 59.2 m-85 -149.46 113.39 5.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.459 ' CG1' HG13 ' A' ' 24' ' ' ILE . 6.8 mt -103.07 140.61 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 59.3 m-85 -136.13 117.68 14.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.482 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -147.13 158.9 43.93 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.092 . . . . 0.0 110.021 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -74.95 142.08 73.69 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.026 -0.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.919 HG11 ' HB2' ' A' ' 23' ' ' LEU . 19.6 t -134.47 113.82 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -104.7 166.77 10.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -68.57 -50.47 51.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -12.25 28.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.5 mm-40 -84.72 -22.62 29.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.461 ' HB3' ' N ' ' A' ' 118' ' ' GLU . 11.1 m-30 -52.85 -55.87 19.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -15.77 13.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -102.34 -15.54 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.451 ' HG3' ' CD ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -138.73 119.19 13.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.48 ' CG ' ' N ' ' A' ' 92' ' ' LEU . 1.2 ttt -117.31 158.1 24.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.576 ' CD1' HD21 ' A' ' 117' ' ' LEU . 37.7 mt -96.72 148.55 22.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -135.66 91.78 2.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.609 HD13 HD12 ' A' ' 115' ' ' ILE . 3.4 mp -94.09 131.29 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.632 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -135.36 144.74 46.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.901 HD13 ' N ' ' A' ' 97' ' ' TRP . 0.7 OUTLIER -105.76 142.48 35.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.901 ' N ' HD13 ' A' ' 96' ' ' LEU . 1.1 m95 -149.63 144.23 26.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 108.005 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 1.0 OUTLIER -105.83 109.13 20.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.42 ' HG2' ' NE ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER -44.21 120.64 2.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 106' ' ' GLU . . . -131.39 -67.2 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.633 ' O ' HG22 ' A' ' 102' ' ' VAL . 2.1 mpt_? 63.36 178.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 101' ' ' ARG . 2.2 m 47.66 -175.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.69 -93.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -166.8 162.71 16.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 37.43 72.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.768 ' O ' ' HB3' ' A' ' 100' ' ' ALA . 1.3 mp0 -47.03 -69.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.79 107.08 8.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -75.79 -17.65 59.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.599 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 65.0 t80 56.2 114.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.659 HD12 ' CD1' ' A' ' 96' ' ' LEU . 54.1 mt -87.78 -16.89 32.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.599 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 150.65 169.22 16.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.632 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.7 pt-20 -124.54 136.21 53.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.588 HD11 ' HB2' ' A' ' 10' ' ' LEU . 59.2 mt -118.09 104.85 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -93.58 134.63 35.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.609 HD12 HD13 ' A' ' 94' ' ' ILE . 4.8 mt -136.89 118.88 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.47 ' CG ' ' HE3' ' A' ' 91' ' ' MET . 41.8 mt-10 -87.64 115.29 24.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.576 HD21 ' CD1' ' A' ' 92' ' ' LEU . 17.2 mt -48.99 -29.78 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.461 ' N ' ' HB3' ' A' ' 87' ' ' PHE . 7.1 tt0 -51.49 -53.79 33.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 8.4 p -118.04 30.95 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.437 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -71.9 140.88 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.2 mt -79.44 89.45 5.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.629 HD23 ' CB ' ' A' ' 14' ' ' LEU . 5.0 mt -101.99 111.34 23.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 124' ' ' ASP . 2.7 t0 -177.07 36.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.442 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 5.5 t0 39.25 33.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 10.7 mt-10 -108.89 127.73 26.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.507 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.96 124.02 8.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -125.72 147.09 49.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.613 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.561 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 93.6 m95 -97.73 107.73 20.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 107.977 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -101.15 104.64 15.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -50.74 151.93 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.693 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -91.94 157.53 16.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 12.1 pt20 -128.12 113.38 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 40.5 p -101.33 143.34 31.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 50.93 98.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.543 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.03 123.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.51 168.23 20.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.987 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -159.42 169.36 35.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.28 6.01 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.52 94.93 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 77.2 p -67.21 168.59 10.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 63.9 155.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 110.01 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -177.83 129.16 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.968 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.35 141.0 3.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p -128.78 75.88 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 m -138.87 113.73 9.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.487 ' CA ' ' HB2' ' A' ' 131' ' ' LEU . . . -79.47 148.64 31.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . -101.55 -135.19 8.76 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.413 ' HG2' ' CG ' ' A' ' 130' ' ' LYS . 33.6 mt-30 -147.11 124.36 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.864 HD13 ' HB2' ' A' ' 30' ' ' ALA . 33.9 tp -114.56 141.33 47.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 128' ' ' TRP . 3.9 t -103.09 120.72 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mt -129.75 130.16 66.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.574 ' CE ' HD21 ' A' ' 28' ' ' LEU . 3.1 ttmt -106.77 115.38 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.605 ' CB ' HD23 ' A' ' 122' ' ' LEU . 12.7 mt -110.26 152.93 25.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.77 ' O ' HD22 ' A' ' 23' ' ' LEU . 9.0 t-105 -158.31 159.22 35.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.535 ' HB2' HD13 ' A' ' 122' ' ' LEU . 54.2 t80 -125.98 128.31 47.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.406 ' HB3' ' OE1' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -113.59 88.67 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -20.6 63.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.0 t -52.92 -74.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.533 ' CA ' ' OE1' ' A' ' 22' ' ' GLN . . . -88.99 2.45 84.06 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 61.66 39.13 14.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.536 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -118.83 119.35 34.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.933 HD13 ' C ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.29 142.27 48.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.138 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.75 HD12 ' C ' ' A' ' 23' ' ' LEU . 1.5 mp -111.17 129.32 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.739 HG12 ' CD1' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -145.93 99.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.83 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -97.82 137.3 36.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.912 HG13 HD11 ' A' ' 48' ' ' ILE . 46.0 mm -98.26 93.31 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.691 HD11 ' HB3' ' A' ' 126' ' ' PRO . 16.2 mt -56.69 -100.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.561 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.92 172.05 35.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.864 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -105.78 170.61 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -160.34 158.5 29.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 54.37 37.29 27.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.863 HD21 HD21 ' A' ' 96' ' ' LEU . 3.2 mp -76.85 145.69 74.75 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 100.09 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.56 ' HB3' HD21 ' A' ' 69' ' ' LEU . 2.0 p -59.38 -167.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.033 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.28 159.54 15.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.53 -56.89 12.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.314 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.85 -38.11 2.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.44 -56.98 0.73 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -40.25 158.13 0.15 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.418 ' HG2' ' CG ' ' A' ' 67' ' ' LYS . 18.4 Cg_endo -74.94 -160.63 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.751 ' NH2' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -149.72 -169.49 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -122.83 85.87 50.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HG3' ' NH2' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -75.0 156.43 43.0 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.7 p90 -161.13 130.97 4.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.77 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 4.9 t -87.36 155.8 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -147.0 109.55 4.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.912 HD11 HG13 ' A' ' 27' ' ' ILE . 3.5 mt -91.5 149.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.549 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -152.02 102.2 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.643 ' CE1' HD11 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -72.38 102.76 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.513 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -69.61 158.94 85.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.5 Cg_endo -75.0 -13.75 23.45 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.009 0.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -40.23 109.43 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.234 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -136.91 73.47 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.74 -46.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -179.39 -156.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.2 mttt 67.37 -81.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -94.09 44.46 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.549 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 3.5 ttpt -125.23 112.41 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.584 ' HG2' ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -123.82 148.34 46.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 62' ' ' THR . 6.9 ttm180 -138.43 142.21 39.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 110.331 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.413 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 28.1 p -81.93 160.05 23.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.98 144.62 44.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.9 m -80.53 109.32 14.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.695 HG11 HG21 ' A' ' 68' ' ' THR . 1.4 t -76.69 146.19 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -113.56 132.93 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.418 ' CG ' ' HG2' ' A' ' 41' ' ' PRO . 6.6 mtmt 44.22 90.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.695 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -179.16 111.97 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.56 HD21 ' HB3' ' A' ' 35' ' ' SER . 5.7 mp -74.03 -19.1 60.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.446 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.8 mt-10 -129.31 89.3 48.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.591 ' HD2' ' HB3' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -74.98 149.9 37.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -135.0 94.43 3.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.834 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.3 m-90 -89.24 -41.26 12.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 107.987 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.7 OUTLIER 38.31 36.48 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.83 ' O ' HG23 ' A' ' 26' ' ' THR . 2.0 mm100 -85.27 174.18 9.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.464 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 5.8 m -123.22 147.63 46.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.584 ' CE1' ' HG2' ' A' ' 60' ' ' ARG . 28.2 m-85 -146.35 113.21 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.495 HG23 ' CB ' ' A' ' 22' ' ' GLN . 11.1 mt -102.35 138.19 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.598 ' HD2' HD12 ' A' ' 23' ' ' LEU . 44.6 m-85 -132.76 120.35 21.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.97 157.58 46.4 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -74.96 138.76 57.92 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.042 -0.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.838 HG11 ' HB2' ' A' ' 23' ' ' LEU . 19.7 t -133.27 108.96 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -103.0 168.67 9.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.617 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -80.33 -14.1 58.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.282 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -6.29 49.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.63 -36.67 14.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.245 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.514 ' CG ' ' HB3' ' A' ' 117' ' ' LEU . 11.9 m-30 -38.12 -52.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -42.32 -48.48 5.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -103.39 26.04 8.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -151.01 114.76 4.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -125.55 149.76 48.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.827 HD12 HD21 ' A' ' 117' ' ' LEU . 9.1 mt -95.04 146.95 23.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.436 ' HG3' HD21 ' A' ' 114' ' ' LEU . 9.4 tt0 -130.09 108.38 10.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.633 ' N ' HD12 ' A' ' 94' ' ' ILE . 3.0 mp -108.0 137.94 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.674 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -138.56 146.14 41.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.863 HD21 HD21 ' A' ' 33' ' ' LEU . 19.2 tp -117.92 134.61 54.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -139.19 163.43 32.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 107.987 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 100' ' ' ALA . 0.5 OUTLIER -120.31 107.65 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.19 81.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 98' ' ' ASP . . . -74.33 179.74 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 100' ' ' ALA . 17.9 mmm180 61.11 135.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.522 HG22 ' HD2' ' A' ' 103' ' ' ARG . 4.2 p -50.36 -55.42 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.522 ' HD2' HG22 ' A' ' 102' ' ' VAL . 4.2 mtt-85 -141.43 88.89 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.9 147.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.06 85.39 6.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.34 73.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.2 m -79.21 136.17 37.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 109' ' ' PHE . 5.9 pt-20 -101.38 9.77 41.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 108' ' ' GLU . 87.9 t80 39.22 93.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.3 mt -68.99 -20.55 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 149.34 -172.35 29.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.674 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.3 pt-20 -144.63 134.71 24.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.79 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.625 HD11 ' CD2' ' A' ' 131' ' ' LEU . 48.6 mt -116.23 114.8 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.462 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.2 OUTLIER -105.89 136.09 46.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.474 HD12 HD13 ' A' ' 94' ' ' ILE . 3.9 mt -137.37 125.47 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 120' ' ' ALA . 25.4 mt-10 -88.61 120.7 30.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.827 HD21 HD12 ' A' ' 92' ' ' LEU . 11.5 mt -55.87 -29.12 59.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.45 ' N ' ' HB3' ' A' ' 87' ' ' PHE . 2.7 tt0 -55.92 -52.47 64.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.7 p -112.92 26.68 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -72.17 140.93 49.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 98.7 mt -83.88 90.31 7.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.605 HD23 ' CB ' ' A' ' 14' ' ' LEU . 10.5 mt -102.53 103.1 13.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -161.78 31.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.0 t0 47.34 27.68 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -105.82 121.78 44.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.691 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 125.23 9.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -119.4 173.56 6.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.569 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 88.7 m95 -121.6 107.36 12.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 108.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -100.34 115.53 30.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 13.4 mtmt -63.64 156.72 25.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.674 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -92.13 161.47 14.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -128.29 114.94 17.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 51.7 p -111.33 -60.02 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.428 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.43 148.82 40.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.52 106.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 m -77.03 159.72 29.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -110.17 168.53 13.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 177.1 9.02 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.58 -58.57 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.84 155.4 20.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.952 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.18 152.82 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 p 57.89 165.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.947 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.91 139.45 5.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.12 80.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -167.06 148.35 5.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.46 153.38 23.13 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.572 1.17 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.25 -131.51 5.23 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -131.36 139.12 49.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 0.729 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.529 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -122.46 141.32 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.505 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 79.0 p -110.49 115.72 30.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.529 HD11 HD13 ' A' ' 10' ' ' LEU . 6.2 mt -126.71 129.02 71.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.65 ' CE ' HD21 ' A' ' 28' ' ' LEU . 4.1 ttmt -104.33 121.98 44.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 14.9 mt -114.36 153.29 30.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -158.3 150.88 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 12.1 t80 -115.55 127.73 55.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.4 81.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.68 -18.34 30.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.56 -72.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.42 9.06 64.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.7 m80 59.64 63.3 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.631 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.71 143.33 49.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.855 ' HB2' HG11 ' A' ' 82' ' ' VAL . 20.2 tp -96.09 117.61 31.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.597 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.4 mp -93.03 124.76 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -136.42 107.85 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.873 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.2 m -105.19 122.77 46.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.819 HG13 HD11 ' A' ' 48' ' ' ILE . 44.5 mm -86.38 96.68 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.65 HD21 ' CE ' ' A' ' 13' ' ' LYS . 15.8 mt -59.05 -100.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.575 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -161.0 161.04 32.58 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 70' ' ' GLU . . . -98.64 159.58 14.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.53 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -155.3 164.44 38.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 59.53 27.49 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -57.78 158.49 12.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 35' ' ' SER . 18.2 Cg_endo -75.02 -26.27 11.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.71 ' HB2' HD13 ' A' ' 69' ' ' LEU . 46.7 t 37.24 -151.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.947 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.469 ' N ' ' OG ' ' A' ' 35' ' ' SER . 0.0 OUTLIER 59.02 151.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.93 -77.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -130.6 23.89 5.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.34 -49.48 0.84 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -74.49 168.98 21.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 18.4 Cg_endo -74.97 -94.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.569 1.826 . . . . 0.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 41' ' ' PRO . 1.4 ptp180 156.81 177.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -120.57 88.37 42.93 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.76 42.88 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.773 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 19.3 p90 -167.36 123.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.718 HG22 HD13 ' A' ' 96' ' ' LEU . 4.4 t -81.09 154.09 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -144.13 110.81 5.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.819 HD11 HG13 ' A' ' 27' ' ' ILE . 3.3 mt -92.0 157.95 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 6.0 m-85 -154.71 99.19 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CD1' HD21 ' A' ' 92' ' ' LEU . 42.6 t80 -66.25 87.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.515 ' CB ' ' HA ' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -55.17 161.62 2.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.515 ' HA ' ' CB ' ' A' ' 51' ' ' LEU . 18.5 Cg_endo -74.95 -22.5 13.84 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.994 -2.502 . . . . 0.0 110.993 -0.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -41.49 140.81 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -168.59 91.56 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.06 -48.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 58' ' ' ASN . 10.4 t0 176.4 -170.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 mttp 68.91 -68.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.7 p-10 -90.4 16.82 8.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 8.0 ttmt -89.39 116.9 27.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.453 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 19.3 mmt180 -113.34 120.61 41.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 18.8 ttp-105 -135.06 140.71 45.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.495 HG21 HG21 ' A' ' 27' ' ' ILE . 41.4 p -82.76 170.85 14.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -69.96 144.51 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.9 m -80.11 112.98 17.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.753 HG11 HG21 ' A' ' 68' ' ' THR . 1.4 t -79.22 152.27 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 67' ' ' LYS . 12.8 mmtt -113.11 126.09 55.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.48 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 3.0 mttp 44.33 93.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.753 HG21 HG11 ' A' ' 65' ' ' VAL . 1.4 t -176.47 117.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 35' ' ' SER . 2.8 mt -78.75 -20.26 50.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 7.7 mt-10 -126.29 83.73 63.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.554 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.5 Cg_endo -74.98 133.34 16.5 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.555 1.818 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -117.41 99.17 6.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.745 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.8 m-90 -92.24 -42.4 9.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 108.038 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.4 OUTLIER 38.02 36.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.873 ' O ' HG23 ' A' ' 26' ' ' THR . 2.1 mm100 -85.69 173.81 9.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.413 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 1.4 m -125.71 145.81 50.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.453 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 35.7 m-85 -146.71 114.32 6.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.8 mt -98.09 136.84 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.504 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.2 m-85 -126.63 111.83 14.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.506 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -146.1 160.95 41.45 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.5 Cg_endo -74.96 141.14 70.89 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.051 -2.479 . . . . 0.0 111.016 -0.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.855 HG11 ' HB2' ' A' ' 23' ' ' LEU . 19.9 t -135.17 115.49 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -99.77 156.32 17.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.583 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.475 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 3.9 tpt180 -70.31 -20.55 63.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.407 ' NE ' ' HG2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -87.72 -12.01 46.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.407 ' HG2' ' NE ' ' A' ' 85' ' ' ARG . 1.6 mm-40 -91.91 -3.86 55.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -64.02 -42.64 97.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.33 1.81 20.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -122.08 -0.65 9.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.74 132.43 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.694 ' CE ' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -129.15 154.97 46.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.97 HD23 HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -95.37 153.13 17.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.641 ' HG3' HD11 ' A' ' 114' ' ' LEU . 12.9 tt0 -138.41 91.98 2.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.413 HD12 ' H ' ' A' ' 94' ' ' ILE . 4.4 mp -86.8 139.5 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.662 HG22 ' HB2' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -133.09 144.62 50.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.41 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.718 HD13 HG22 ' A' ' 46' ' ' VAL . 24.3 tp -122.58 132.41 54.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.583 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -140.3 -179.14 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 107.971 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -131.64 114.94 15.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.82 103.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -117.63 -173.23 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 52.17 -178.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.4 m -112.13 -39.62 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -135.5 -66.31 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -41.45 142.2 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.91 99.0 3.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -138.8 70.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.2 m -107.72 142.34 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.35 130.34 50.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.311 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -79.31 100.25 7.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.506 HD22 HH12 ' A' ' 42' ' ' ARG . 16.7 mt -68.99 -31.21 69.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 143.84 152.33 5.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.662 ' HB2' HG22 ' A' ' 95' ' ' THR . 1.1 pt-20 -114.48 151.21 33.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.62 HD11 ' HG ' ' A' ' 131' ' ' LEU . 76.4 mt -121.04 101.39 10.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.694 HD23 ' CE ' ' A' ' 91' ' ' MET . 1.3 mp -91.54 146.96 23.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.562 HD11 HG22 ' A' ' 113' ' ' ILE . 2.0 mp -142.64 139.52 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.404 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 14.6 mt-10 -100.15 108.83 21.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.97 HD21 HD23 ' A' ' 92' ' ' LEU . 7.8 mt -45.98 -30.15 1.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -59.9 -45.68 91.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.5 p -112.21 22.36 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -78.39 117.06 19.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -74.82 86.9 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.91 125.98 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.9 t0 177.85 38.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.5 t70 40.41 39.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -111.35 120.65 42.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.636 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.07 122.45 7.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -126.36 142.69 51.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.53 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 96.2 m95 -92.18 106.9 18.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.401 ' HB2' HD13 ' A' ' 113' ' ' ILE . 53.3 m-85 -95.69 134.07 39.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.032 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -75.26 144.05 42.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.62 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -91.25 150.46 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -119.52 142.49 48.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 70.3 p -125.06 106.73 10.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 67.2 83.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.611 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -165.42 -44.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.74 -81.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 122.52 171.25 13.79 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 158.56 41.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.555 1.819 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.49 125.1 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 164.59 20.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -156.22 -51.83 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.751 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 m -92.08 166.55 12.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.96 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.9 155.68 7.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.29 152.73 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.047 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -175.73 68.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.04 142.28 2.71 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . -125.0 -131.98 3.73 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -148.2 123.73 10.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.513 HD23 ' H ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -110.52 136.55 49.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.569 ' OG ' ' CE3' ' A' ' 128' ' ' TRP . 37.6 m -99.88 120.87 40.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.473 HD11 HD13 ' A' ' 10' ' ' LEU . 5.4 mt -131.62 125.24 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.639 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.6 ttmt -101.27 114.4 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.454 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 15.9 mt -107.74 154.85 20.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.49 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 29.7 t-105 -158.66 159.82 35.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 107.981 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.94 ' HB2' HD13 ' A' ' 122' ' ' LEU . 32.2 t80 -125.61 120.41 30.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -100.31 82.89 2.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -18.52 45.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.5 t -52.78 -65.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.96 5.56 42.64 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 63.52 59.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.586 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.55 139.47 52.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.789 ' HB2' HG11 ' A' ' 82' ' ' VAL . 25.8 tp -91.13 118.36 30.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.504 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.6 mp -93.4 131.88 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -145.6 105.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.925 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.1 m -103.04 122.23 44.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.87 HG13 HD11 ' A' ' 48' ' ' ILE . 36.9 mm -85.81 100.35 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.639 HD21 ' CE ' ' A' ' 13' ' ' LYS . 12.8 mt -64.79 -99.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.459 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -154.11 171.82 32.73 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.495 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -112.12 159.11 18.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.554 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -151.36 169.82 21.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 62.96 25.72 15.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 69' ' ' LEU . 24.3 mt -75.88 153.35 84.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 154.24 42.13 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 1.018 ' HB2' HD21 ' A' ' 69' ' ' LEU . 30.9 t -127.54 -172.6 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' N ' ' OG ' ' A' ' 35' ' ' SER . 4.8 ptp180 -149.64 154.31 38.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 62.13 -171.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.08 -26.91 64.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.4 82.3 0.08 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -145.96 109.82 4.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.544 1.813 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.406 ' NH1' ' OD2' ' A' ' 98' ' ' ASP . 4.9 ptp180 -146.9 -170.15 3.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -116.66 81.46 11.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.8 32.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.458 1.767 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.53 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.5 p90 -175.47 135.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.78 HG22 HD13 ' A' ' 96' ' ' LEU . 3.3 t -92.14 160.48 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -149.66 105.07 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.87 HD11 HG13 ' A' ' 27' ' ' ILE . 2.3 mt -92.4 150.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -154.99 98.07 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.505 ' CE1' HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -58.68 109.23 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 49' ' ' TYR . 3.8 mp -74.04 158.27 85.94 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -74.99 -7.69 23.26 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.97 -0.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -45.05 129.58 7.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 7.3 mtm180 -157.44 40.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.25 -61.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.033 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' LYS . 8.5 p-10 178.03 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -39.26 -55.49 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -109.27 58.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.511 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 4.0 ttmt -118.51 101.72 8.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -108.96 116.53 32.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -126.89 136.32 52.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.415 HG22 ' CE2' ' A' ' 77' ' ' PHE . 81.1 p -81.92 166.68 19.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.09 145.19 43.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.7 m -81.16 110.31 16.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.757 HG11 HG21 ' A' ' 68' ' ' THR . 1.5 t -77.67 149.09 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -122.86 128.3 50.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt 53.85 85.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.757 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.52 113.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.358 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.018 HD21 ' HB2' ' A' ' 35' ' ' SER . 5.4 mp -71.61 -22.3 61.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 4.7 mt-10 -130.18 92.59 35.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.628 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.2 Cg_endo -75.03 147.53 33.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HG3' ' C ' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -127.2 95.07 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.845 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.8 m-90 -88.87 -45.79 9.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 108.023 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER 40.48 33.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.925 ' O ' HG23 ' A' ' 26' ' ' THR . 0.6 OUTLIER -83.38 -177.28 6.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.9 m -132.82 139.25 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.461 ' O ' HG13 ' A' ' 25' ' ' VAL . 41.2 m-85 -140.64 116.2 10.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.6 mt -101.85 146.69 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.532 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.3 m-85 -136.55 110.52 8.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.488 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.62 160.52 41.14 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -74.97 141.51 71.99 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.979 0.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.789 HG11 ' HB2' ' A' ' 23' ' ' LEU . 6.7 t -131.55 119.35 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -102.19 168.23 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.576 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -84.23 -19.92 33.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.367 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.35 -3.99 58.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.11 -29.18 13.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 6.8 m-30 -44.42 -55.12 5.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -45.35 -53.78 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -89.99 29.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.458 ' C ' HD13 ' A' ' 117' ' ' LEU . 2.5 mtt180 -142.54 142.07 32.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.586 ' HE1' ' HB3' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -152.38 135.07 15.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 23' ' ' LEU . 1.4 mt -92.0 131.06 37.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 24.5 tt0 -115.34 98.21 6.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.35 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.671 ' N ' HD12 ' A' ' 94' ' ' ILE . 3.0 mp -91.92 145.85 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.59 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -144.44 140.36 28.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.78 HD13 HG22 ' A' ' 46' ' ' VAL . 27.0 tp -114.0 135.9 53.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.508 ' CE2' ' HB ' ' A' ' 95' ' ' THR . 0.1 OUTLIER -142.94 165.78 26.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 107.988 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.406 ' OD2' ' NH1' ' A' ' 42' ' ' ARG . 3.3 t0 -120.83 104.94 10.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -38.12 109.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.54 -174.16 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 58.34 164.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.2 m -100.03 -37.73 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -99.46 50.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 51.52 -174.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 68.57 -173.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 52.63 90.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.37 119.52 38.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.583 ' OE2' HD21 ' A' ' 110' ' ' LEU . 17.0 pt-20 -61.94 -20.58 63.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.414 ' CD1' ' CZ3' ' A' ' 97' ' ' TRP . 36.9 t80 51.17 101.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.583 HD21 ' OE2' ' A' ' 108' ' ' GLU . 96.9 mt -72.58 -33.77 66.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.79 -178.66 36.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.59 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.0 pt-20 -137.64 136.64 37.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 0.79 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 131' ' ' LEU . 70.8 mt -114.68 111.98 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.586 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 0.1 OUTLIER -95.4 133.69 39.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.455 HD12 HG22 ' A' ' 113' ' ' ILE . 2.8 mt -140.54 143.43 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.551 ' O ' ' HB2' ' A' ' 120' ' ' ALA . 6.6 mt-10 -109.95 139.45 45.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.68 ' N ' HD12 ' A' ' 117' ' ' LEU . 1.8 mp -77.26 -16.21 59.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -57.8 -38.02 74.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.344 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 67.7 p -134.25 10.14 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.623 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -40.26 136.44 1.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.46 87.39 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.94 HD13 ' HB2' ' A' ' 16' ' ' PHE . 43.8 mt -97.93 77.45 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.22 2.85 9.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.49 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 27.5 t70 61.58 26.22 15.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.99 150.85 45.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.48 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 121.85 6.84 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -125.9 131.82 52.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.569 ' CE3' ' OG ' ' A' ' 11' ' ' SER . 96.0 m95 -83.49 137.86 33.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -131.89 122.27 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -63.52 153.74 34.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.65 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -90.81 159.75 16.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -128.14 113.54 15.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.9 p -110.9 97.64 6.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.01 127.06 1.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 22.0 t70 63.74 108.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.9 t -131.55 144.81 51.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 144.32 166.93 11.7 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 104.89 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 52.4 p -90.87 114.6 27.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.97 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.07 162.88 20.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.961 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 63.51 122.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.022 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 t -154.13 153.78 32.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.15 119.29 3.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -169.8 143.38 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.975 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 t -95.17 -61.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.35 152.43 28.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.36 -130.45 5.22 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -140.86 138.93 34.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.86 HD13 ' HB2' ' A' ' 30' ' ' ALA . 44.6 tp -118.35 153.68 33.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.524 ' H ' HD12 ' A' ' 10' ' ' LEU . 64.1 m -111.51 109.3 19.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.957 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.554 HD11 HD23 ' A' ' 10' ' ' LEU . 6.5 mt -120.32 121.83 66.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.673 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.6 ttmt -100.1 114.96 28.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.579 ' CB ' HD23 ' A' ' 122' ' ' LEU . 18.0 mt -107.23 151.57 25.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.0 t-105 -158.52 152.18 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 108.014 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -114.39 131.79 56.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.66 94.01 4.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -21.97 63.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.7 t -51.94 -68.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.89 5.2 53.4 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.5 m170 62.1 64.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.633 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.425 ' HB3' HG23 ' A' ' 78' ' ' ILE . 1.0 OUTLIER -132.21 148.12 52.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.809 ' HB2' HG11 ' A' ' 82' ' ' VAL . 18.9 tp -98.89 119.82 38.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.555 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.4 mp -94.72 130.51 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -141.6 101.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.905 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.3 m -96.43 121.18 37.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.422 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.036 HG22 ' CE3' ' A' ' 73' ' ' TRP . 49.5 mm -85.28 89.37 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.673 HD21 ' CE ' ' A' ' 13' ' ' LYS . 11.1 mt -54.91 -98.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.588 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -159.8 172.41 36.35 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.86 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -110.45 170.7 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.85 171.1 21.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' LYS . 88.2 m-20 39.85 43.54 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -76.73 144.74 73.6 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.452 ' O ' ' NH1' ' A' ' 42' ' ' ARG . 18.2 Cg_endo -75.03 95.13 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.754 ' HB2' HD21 ' A' ' 69' ' ' LEU . 2.9 t -54.15 -169.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.22 173.87 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -54.6 -177.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.67 -61.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.46 -26.29 3.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.03 154.93 66.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 110.248 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.52 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.468 ' CD ' ' HB2' ' A' ' 98' ' ' ASP . 1.3 ptt-85 -148.96 -172.06 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 66' ' ' LYS . 3.2 m-20 -114.62 87.28 14.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -74.96 156.67 43.17 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 5.1 p90 -167.63 134.2 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.974 HG22 HD13 ' A' ' 96' ' ' LEU . 22.6 t -91.85 155.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.18 109.91 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.818 HD11 HG13 ' A' ' 27' ' ' ILE . 3.5 mt -91.4 150.09 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.473 ' CZ ' ' HG3' ' A' ' 59' ' ' LYS . 1.5 m-85 -155.36 97.92 1.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.761 ' CD1' HD21 ' A' ' 92' ' ' LEU . 23.1 t80 -64.3 120.96 13.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.542 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 56.1 mt -97.34 150.95 37.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.98 -166.82 5.15 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.004 -0.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.55 141.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 54' ' ' ARG . 11.2 mtp-105 -148.27 95.1 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.52 177.34 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -48.01 -25.5 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -54.69 -57.38 11.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -128.31 53.86 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 0.4 OUTLIER -121.77 133.38 54.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.56 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 25.7 mmt180 -133.97 128.85 35.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -139.37 136.88 35.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.475 HG21 ' HB ' ' A' ' 27' ' ' ILE . 67.7 p -82.18 165.31 20.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -58.84 145.22 41.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.8 m -80.58 110.66 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.445 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.825 HG11 HG21 ' A' ' 68' ' ' THR . 1.9 t -72.27 156.19 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HD3' ' ND2' ' A' ' 43' ' ' ASN . 12.7 mmtt -118.07 127.48 53.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 66' ' ' LYS . 13.4 mttt 41.51 91.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.825 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -179.42 108.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.162 . . . . 0.0 110.374 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.754 HD21 ' HB2' ' A' ' 35' ' ' SER . 0.9 OUTLIER -69.5 -22.54 63.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.417 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.6 mt-10 -122.56 87.58 49.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.704 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.3 Cg_endo -74.98 152.09 40.44 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -136.3 94.3 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 1.036 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.5 m-90 -90.5 -41.36 11.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 108.035 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.4 OUTLIER 39.36 34.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.905 ' O ' HG23 ' A' ' 26' ' ' THR . 1.7 mm100 -83.85 -179.07 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.4 m -129.51 144.61 51.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 46.7 m-85 -143.15 113.62 7.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 22' ' ' GLN . 32.4 mt -98.55 128.98 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.512 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.4 m-85 -120.35 111.33 17.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.529 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -146.22 162.09 36.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.044 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.529 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.2 Cg_endo -75.0 141.09 70.74 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.999 0.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.809 HG11 ' HB2' ' A' ' 23' ' ' LEU . 16.0 t -133.4 117.7 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -101.62 157.08 17.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.602 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -66.18 -39.61 89.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -28.3 66.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.46 -38.34 86.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -38.12 -53.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -46.51 -49.96 17.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.19 48.16 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.355 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.631 ' HG2' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -169.89 141.29 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.489 ' CE ' ' HG2' ' A' ' 116' ' ' GLU . 2.3 ttm -148.04 146.32 28.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.761 HD21 ' CD1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -93.1 154.02 18.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.679 ' HG3' HD11 ' A' ' 114' ' ' LEU . 15.6 tt0 -138.6 91.82 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.46 ' H ' HD12 ' A' ' 94' ' ' ILE . 5.1 mp -88.17 140.33 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.619 HG22 ' HB2' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -131.23 146.33 52.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.393 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.974 HD13 HG22 ' A' ' 46' ' ' VAL . 34.1 tp -127.79 132.99 49.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -142.13 -169.75 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 107.955 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.468 ' HB2' ' CD ' ' A' ' 42' ' ' ARG . 3.0 t0 -139.74 120.15 13.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 95.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 106' ' ' GLU . . . -86.26 -76.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.95 -178.93 7.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.505 HG12 ' N ' ' A' ' 103' ' ' ARG . 17.8 t -105.25 -80.84 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.505 ' N ' HG12 ' A' ' 102' ' ' VAL . 0.3 OUTLIER -52.96 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -69.89 -179.77 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.25 -76.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.443 ' O ' ' HB3' ' A' ' 100' ' ' ALA . 13.3 mt-10 45.15 43.95 8.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.3 m -103.83 156.97 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -105.41 126.98 52.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.526 ' CE2' ' HA2' ' A' ' 111' ' ' GLY . 82.6 t80 -74.22 91.43 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.4 mt -58.61 -29.79 66.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 109' ' ' PHE . . . 138.39 150.68 5.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.619 ' HB2' HG22 ' A' ' 95' ' ' THR . 0.9 OUTLIER -109.14 158.9 17.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.599 HG22 HD11 ' A' ' 115' ' ' ILE . 82.9 mt -127.43 102.25 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.679 HD11 ' HG3' ' A' ' 93' ' ' GLU . 2.4 mp -93.0 146.37 23.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.599 HD11 HG22 ' A' ' 113' ' ' ILE . 2.1 mp -143.09 129.19 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.489 ' HG2' ' CE ' ' A' ' 91' ' ' MET . 38.6 mt-10 -85.3 107.3 17.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.438 ' HA ' ' CB ' ' A' ' 120' ' ' ALA . 9.5 mt -43.53 -31.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.03 -45.6 92.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 116' ' ' GLU . 73.9 p -111.01 21.57 16.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -76.0 101.92 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.992 ' O ' HD12 ' A' ' 121' ' ' LEU . 4.0 pp -63.53 95.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.579 HD23 ' CB ' ' A' ' 14' ' ' LEU . 1.6 mt -100.21 114.29 27.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -159.46 28.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 49.1 t0 47.57 43.24 15.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 3.9 mt-10 -121.35 132.86 24.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.506 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.98 123.92 8.25 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.77 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.55 ' HB3' ' CE1' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -126.15 144.55 50.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 109.585 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.586 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 97.8 m95 -94.41 106.01 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 127' ' ' HIS . 29.0 m-85 -99.58 118.98 37.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 147.63 42.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.563 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.1 mt -90.0 153.72 20.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -107.71 142.29 37.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 41.0 p -139.76 84.95 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.44 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.15 -69.79 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.73 132.44 11.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -57.73 6.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -51.87 163.39 1.52 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 178.44 7.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.62 99.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 75.4 p -147.75 155.65 41.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.11 154.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 0.796 . . . . 0.0 109.991 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 t -179.54 148.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.93 -171.3 16.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -157.2 68.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.74 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -170.66 83.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.945 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.93 149.58 44.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.455 1.097 . . . . 0.0 111.057 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.13 -131.04 4.72 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -142.27 135.28 28.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.548 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -115.03 136.0 53.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.587 ' HB2' ' CH2' ' A' ' 128' ' ' TRP . 1.7 t -100.87 126.62 47.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.707 ' CG2' HD11 ' A' ' 14' ' ' LEU . 8.4 mt -141.74 148.78 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.645 ' HB2' HD11 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -124.27 114.28 19.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.786 ' HB2' HD23 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -109.46 157.4 19.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -158.53 148.86 19.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 107.991 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -114.22 130.35 56.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.34 83.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -19.36 57.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.46 -69.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.43 7.61 78.17 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 52.18 48.25 23.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.54 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.73 142.29 51.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.83 ' HB2' HG11 ' A' ' 82' ' ' VAL . 15.0 tp -95.45 115.91 28.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.584 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.4 mp -88.57 137.46 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.504 ' HB ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -152.22 128.76 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.802 HG22 HD12 ' A' ' 28' ' ' LEU . 1.3 m -125.92 126.99 45.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.886 HG13 HD11 ' A' ' 48' ' ' ILE . 44.7 mm -87.25 87.09 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.802 HD12 HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -50.71 -99.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.591 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.33 165.86 35.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.594 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -101.7 168.93 9.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.01 160.09 39.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 58.9 45.34 15.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.594 HD21 ' HB1' ' A' ' 30' ' ' ALA . 20.1 mt -87.02 150.47 49.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 120.61 6.13 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.556 1.819 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.704 ' HB2' HD21 ' A' ' 69' ' ' LEU . 9.4 t -80.36 -159.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.944 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -134.23 48.02 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 56.37 170.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t0 41.75 31.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.34 57.1 14.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -105.61 108.46 61.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.419 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.02 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.7 -171.38 3.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -117.17 81.25 12.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 98' ' ' ASP . 18.1 Cg_endo -75.05 165.37 31.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.791 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 28.5 p90 -168.93 123.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.831 HG22 HD13 ' A' ' 96' ' ' LEU . 6.3 t -74.88 161.07 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.401 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -146.38 111.31 5.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.354 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.886 HD11 HG13 ' A' ' 27' ' ' ILE . 3.1 mt -94.06 150.71 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.427 ' O ' HD13 ' A' ' 51' ' ' LEU . 2.4 m-85 -154.38 103.79 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CD1' HD21 ' A' ' 92' ' ' LEU . 37.0 t80 -73.63 94.82 2.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.517 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -68.28 156.81 89.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -74.94 -171.96 10.08 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 121.035 -2.486 . . . . 0.0 110.992 -0.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 62.9 149.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -139.31 39.86 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.68 176.73 6.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.984 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -51.64 -37.75 51.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.1 -41.6 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -127.87 52.02 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -117.69 118.75 32.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.567 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -136.69 115.81 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 62' ' ' THR . 6.5 ttm180 -129.0 140.71 51.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.577 HG22 ' CZ ' ' A' ' 77' ' ' PHE . 75.0 p -83.32 168.48 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.3 141.83 57.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.3 m -80.4 113.04 18.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.9 HG11 HG21 ' A' ' 68' ' ' THR . 2.1 t -71.76 153.93 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 67' ' ' LYS . 17.0 mmtt -115.05 117.2 29.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 66' ' ' LYS . 47.7 mttt 47.99 97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.9 HG21 HG11 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -176.12 114.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.393 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.704 HD21 ' HB2' ' A' ' 35' ' ' SER . 4.6 mp -70.19 -23.49 62.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 3.2 mt-10 -128.28 92.47 41.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.609 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.2 Cg_endo -75.04 158.57 41.96 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -144.47 99.4 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.86 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.3 m-90 -98.69 -49.09 4.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 107.968 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER 40.27 38.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.776 ' O ' HG23 ' A' ' 26' ' ' THR . 3.3 mm100 -80.95 172.53 13.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.6 m -110.39 142.1 42.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.577 ' CZ ' HG22 ' A' ' 62' ' ' THR . 53.0 m-85 -149.55 113.78 5.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.5 mt -103.9 145.86 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.532 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 10.3 m-85 -136.06 112.15 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.506 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.35 160.72 41.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.971 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -75.03 141.77 72.72 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.987 0.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.83 HG11 ' HB2' ' A' ' 23' ' ' LEU . 14.2 t -133.38 127.25 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -113.61 167.31 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.595 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.434 ' HD2' ' CE2' ' A' ' 87' ' ' PHE . 5.9 tpt180 -80.01 -15.36 57.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.17 -3.01 48.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.3 mm-40 -100.16 -6.95 25.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.497 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 7.6 m-30 -61.32 -49.55 76.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -67.38 -8.53 33.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -112.77 -10.15 13.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.453 ' HD3' ' CE2' ' A' ' 50' ' ' PHE . 52.8 mtt180 -138.44 128.52 25.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.561 ' HE3' ' HG2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -128.34 150.7 49.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.587 HD23 HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -96.18 144.25 26.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.457 ' HG3' HD21 ' A' ' 114' ' ' LEU . 9.3 tt0 -131.87 98.29 4.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.661 ' N ' HD12 ' A' ' 94' ' ' ILE . 2.9 mp -97.73 129.89 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.73 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -130.66 138.13 49.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.831 HD13 HG22 ' A' ' 46' ' ' VAL . 28.7 tp -108.46 129.68 55.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.577 ' CE3' ' HB2' ' A' ' 109' ' ' PHE . 4.6 m95 -128.28 174.53 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 0.5 OUTLIER -135.67 116.3 13.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.57 89.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.55 -78.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.62 179.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 55.1 t -99.19 -71.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.5 mtt85 -64.51 -76.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -48.49 174.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -80.42 -66.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 45.33 78.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.4 p -90.44 122.11 33.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 108' ' ' GLU . 2.2 tt0 -88.78 -25.27 22.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.577 ' HB2' ' CE3' ' A' ' 97' ' ' TRP . 93.4 t80 58.93 112.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.7 mt -86.27 -25.24 25.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.14 -178.0 36.37 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.73 ' CB ' HG22 ' A' ' 95' ' ' THR . 1.2 pt-20 -139.32 143.6 37.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 10' ' ' LEU . 40.6 mt -126.37 117.29 48.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.499 HD13 ' HE2' ' A' ' 91' ' ' MET . 0.1 OUTLIER -104.86 135.39 46.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.598 HD12 HD13 ' A' ' 94' ' ' ILE . 5.2 mt -133.98 128.1 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.561 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 9.3 mt-10 -97.19 108.46 21.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.587 HD21 HD23 ' A' ' 92' ' ' LEU . 18.4 mt -45.71 -27.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -58.28 -39.45 79.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 116' ' ' GLU . 71.9 p -125.29 30.75 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.421 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -83.83 109.64 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 1.025 ' O ' HD12 ' A' ' 121' ' ' LEU . 4.0 pp -68.45 97.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.786 HD23 ' HB2' ' A' ' 14' ' ' LEU . 1.5 mt -104.89 125.06 50.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 125' ' ' GLU . 6.5 t0 179.72 44.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 124' ' ' ASP . 26.2 t0 47.62 24.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 123' ' ' ASP . 14.7 mt-10 -111.6 102.7 53.94 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.768 ' HB3' HD21 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 135.59 19.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -126.4 150.57 48.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.589 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 84.6 m95 -86.91 107.27 18.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -90.83 135.78 33.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -71.46 141.28 50.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.498 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -92.98 154.69 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -121.28 114.23 21.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 3.7 p -119.01 11.55 12.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.23 82.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.58 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -123.03 137.98 54.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.13 154.16 43.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 177.72 170.41 39.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.65 135.96 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.977 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 t 60.61 167.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.44 128.04 53.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 0.723 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.57 134.35 3.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.35 109.89 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.2 p -128.39 164.97 21.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 0.747 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -161.6 -51.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.1 146.72 9.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.63 -124.37 1.74 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -137.55 130.52 30.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.638 HD13 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -114.27 136.77 52.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.53 ' H ' HD23 ' A' ' 10' ' ' LEU . 67.2 m -99.88 115.98 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.638 HD11 HD13 ' A' ' 10' ' ' LEU . 7.8 mt -132.07 129.56 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' CE ' HD21 ' A' ' 28' ' ' LEU . 3.3 ttmt -105.02 113.89 27.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' CD1' HG21 ' A' ' 115' ' ' ILE . 65.4 mt -105.04 151.12 24.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.461 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 6.4 t-105 -159.03 148.53 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 107.97 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.593 ' HE1' HG12 ' A' ' 82' ' ' VAL . 63.5 t80 -111.08 138.27 47.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' A' ' 20' ' ' GLY . 18.5 t70 -113.52 108.69 17.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.88 -26.79 19.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.61 HG23 ' H ' ' A' ' 20' ' ' GLY . 27.0 m -55.83 -60.57 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.61 ' H ' HG23 ' A' ' 19' ' ' VAL . . . -97.84 2.85 60.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.115 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 80' ' ' SER . 56.9 m-70 58.96 63.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.767 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -138.8 159.98 40.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.988 ' HB2' HG11 ' A' ' 82' ' ' VAL . 6.1 tp -110.09 122.12 46.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.595 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.4 mp -93.89 148.03 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -162.46 103.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.1 m -101.29 128.79 47.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.868 HG22 ' CE3' ' A' ' 73' ' ' TRP . 48.6 mm -92.67 93.7 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' A' ' 126' ' ' PRO . 12.6 mt -57.02 -99.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.563 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.6 168.84 34.92 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.501 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . . . -106.63 162.24 13.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.571 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -149.63 164.3 35.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 50.54 55.6 9.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 69' ' ' LEU . 1.3 mp -93.34 157.94 37.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.439 ' O ' ' NH2' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -74.96 121.11 6.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.484 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 28.2 t -113.1 169.53 8.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.9 127.91 53.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -46.73 -74.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -110.26 30.86 6.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 40' ' ' ARG . . . -121.6 31.52 4.99 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.438 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER 51.3 174.21 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 110.285 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -74.99 -94.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.441 1.759 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.506 ' CB ' ' O ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER 157.72 179.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -120.46 84.63 36.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.55 42.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.591 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 2.2 p90 -173.05 122.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.809 HG22 HD13 ' A' ' 96' ' ' LEU . 16.8 t -73.77 161.01 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -149.96 110.89 4.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.629 HD11 HG13 ' A' ' 27' ' ' ILE . 2.4 mt -91.35 157.09 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.524 ' CD1' ' HA ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -155.2 98.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.609 ' CD1' HD21 ' A' ' 92' ' ' LEU . 39.9 t80 -68.98 88.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.529 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -51.89 157.02 2.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.06 -19.81 17.25 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.956 0.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -46.38 112.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.524 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 8.1 ttm180 -149.79 71.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.23 -44.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.449 ' HA ' ' CB ' ' A' ' 59' ' ' LYS . 9.5 t70 -173.61 -39.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 56' ' ' ASP . 2.1 mttt -37.98 -62.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 50' ' ' PHE . 7.0 m120 -111.34 49.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.449 ' CB ' ' HA ' ' A' ' 56' ' ' ASP . 30.3 ttpt -100.13 88.14 3.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.542 ' HD2' ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -122.94 115.49 22.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.97 162.5 24.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.524 ' HB ' ' CD1' ' A' ' 73' ' ' TRP . 39.1 p -81.77 166.1 20.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.95 148.27 35.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.8 m -80.71 112.05 17.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.655 HG11 HG21 ' A' ' 68' ' ' THR . 0.7 OUTLIER -81.91 142.07 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 67' ' ' LYS . 14.7 mmtt -106.03 130.3 53.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER 43.41 93.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.655 HG21 HG11 ' A' ' 65' ' ' VAL . 1.3 t -175.88 119.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.444 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.575 ' O ' HD22 ' A' ' 33' ' ' LEU . 55.2 mt -81.44 -19.79 41.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.435 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.8 mt-10 -129.87 85.55 57.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.574 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.2 Cg_endo -74.95 141.23 26.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -124.79 98.66 5.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.868 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.6 m-90 -92.06 -43.94 9.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 107.98 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' TRP . 1.1 m-80 38.71 39.09 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.849 ' O ' HG23 ' A' ' 26' ' ' THR . 1.3 mm100 -85.85 -175.19 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 m -133.94 135.7 43.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.542 ' CE1' ' HD2' ' A' ' 60' ' ' ARG . 47.5 m-85 -138.01 119.22 14.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.47 ' CG1' HG13 ' A' ' 24' ' ' ILE . 5.8 mt -110.74 139.31 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.516 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 84.8 m-85 -129.08 119.89 24.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.523 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -145.65 161.57 40.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.523 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.1 Cg_endo -75.05 143.28 77.26 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.959 0.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.988 HG11 ' HB2' ' A' ' 23' ' ' LEU . 19.5 t -135.59 118.72 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -105.65 159.99 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.598 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 tpt85 -73.56 -19.68 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -9.32 49.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -93.55 -11.2 32.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.524 ' CZ ' ' CD1' ' A' ' 16' ' ' PHE . 2.6 m-30 -55.16 -39.16 69.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -83.54 0.94 44.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -105.01 -20.4 13.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -145.38 148.31 33.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.425 ' HE3' ' CG ' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -131.42 153.53 49.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.609 HD21 ' CD1' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -93.65 147.55 22.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.474 ' HG3' HD21 ' A' ' 114' ' ' LEU . 14.9 tt0 -136.53 102.02 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.754 ' N ' HD12 ' A' ' 94' ' ' ILE . 2.2 mp -98.8 140.35 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.569 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -143.2 144.15 32.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 110.364 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.809 HD13 HG22 ' A' ' 46' ' ' VAL . 16.7 tp -107.64 134.76 50.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.58 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 1.1 m95 -138.04 162.88 32.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -124.44 98.48 5.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.45 108.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -128.18 -178.25 4.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.455 ' CB ' ' HB2' ' A' ' 106' ' ' GLU . 0.0 OUTLIER 58.95 155.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.597 HG22 ' HD2' ' A' ' 103' ' ' ARG . 2.5 p -67.49 142.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.597 ' HD2' HG22 ' A' ' 102' ' ' VAL . 0.1 OUTLIER 58.64 172.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -68.95 99.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 176.4 163.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER 61.48 109.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 p -119.07 126.29 51.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 109' ' ' PHE . 13.1 pt-20 -80.62 -23.81 39.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 108' ' ' GLU . 48.4 t80 55.95 111.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.564 HD12 ' HG ' ' A' ' 96' ' ' LEU . 28.6 mt -79.12 -51.72 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -171.84 -175.51 40.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.569 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.3 pt-20 -140.85 137.77 33.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.48 HD11 ' HG ' ' A' ' 131' ' ' LEU . 59.0 mt -126.47 114.99 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.474 HD21 ' HG3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -101.94 135.0 44.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.601 HD12 HD13 ' A' ' 94' ' ' ILE . 3.9 mt -136.72 117.51 17.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.425 ' CG ' ' HE3' ' A' ' 91' ' ' MET . 29.9 mt-10 -86.83 111.51 20.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.538 HD21 HD23 ' A' ' 92' ' ' LEU . 24.5 mt -44.22 -34.17 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -53.93 -52.71 59.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.8 p -111.2 28.14 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.45 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -78.91 108.95 12.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 1.021 ' O ' HD12 ' A' ' 121' ' ' LEU . 4.0 pp -63.71 95.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.503 HD13 ' HB2' ' A' ' 16' ' ' PHE . 1.2 mt -103.84 120.83 41.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -170.12 34.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.461 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 35.0 t0 41.75 37.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 7.1 mt-10 -114.61 128.21 26.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.6 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.99 123.25 7.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -125.45 150.15 47.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.638 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 91.8 m95 -97.95 105.03 17.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.525 ' OH ' HD11 ' A' ' 121' ' ' LEU . 52.0 m-85 -95.02 120.96 36.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -60.45 143.59 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.48 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.1 mt -89.86 144.24 26.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -118.95 119.33 34.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 18.0 p -107.8 93.3 4.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 110.397 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -174.56 103.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.566 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.09 130.81 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.29 151.63 28.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -123.12 170.23 15.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.94 3.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.451 1.763 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.31 84.06 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.79 100.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -168.22 151.24 5.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 p -175.62 152.99 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.16 164.28 23.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -176.77 163.93 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.992 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p -94.61 171.39 8.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 131' ' ' LEU . . . -92.57 144.55 17.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . -102.54 -133.64 8.1 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -145.79 128.87 16.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.682 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -120.15 137.03 54.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.608 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 68.5 m -100.73 107.87 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.682 HD11 HD13 ' A' ' 10' ' ' LEU . 7.8 mt -120.9 123.84 71.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.513 ' CE ' HD21 ' A' ' 28' ' ' LEU . 3.6 ttmt -100.87 114.37 28.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.68 ' HB3' HD23 ' A' ' 122' ' ' LEU . 18.5 mt -105.19 154.85 19.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -158.44 147.14 18.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.42 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 28.9 t80 -112.97 115.33 28.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -91.62 79.81 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -17.63 30.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.3 t -55.15 -65.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.24 5.51 45.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.4 m170 64.15 57.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.405 ' HB3' HG23 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -126.59 136.6 52.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.841 ' HB2' HG11 ' A' ' 82' ' ' VAL . 18.8 tp -88.74 119.58 29.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.501 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.6 mp -95.31 141.85 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.537 HG13 ' HB2' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -153.89 105.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -102.36 118.97 38.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.895 HG13 HD11 ' A' ' 48' ' ' ILE . 49.5 mm -81.34 95.94 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 126' ' ' PRO . 11.6 mt -61.6 -97.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.573 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.43 164.71 33.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.51 162.01 13.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -154.16 163.56 39.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 59.21 46.04 13.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 13.5 mt -92.32 145.49 30.75 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.56 ' HG2' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -75.01 108.15 2.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.421 1.748 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.466 ' N ' HH21 ' A' ' 42' ' ' ARG . 17.0 t -64.02 175.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -139.65 -177.12 4.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.578 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 2.8 mt-10 62.31 -79.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.578 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER 148.79 -20.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.68 -47.1 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.433 1.083 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -89.28 141.35 29.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.482 ' HG2' ' CB ' ' A' ' 67' ' ' LYS . 18.3 Cg_endo -75.0 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.47 1.774 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.657 ' NH2' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -127.17 -176.88 3.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -116.51 86.38 18.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 160.8 39.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.779 ' O ' HD12 ' A' ' 96' ' ' LEU . 4.9 p90 -169.12 142.43 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.822 HG22 HD13 ' A' ' 96' ' ' LEU . 13.1 t -99.05 153.86 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -141.76 106.21 4.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.895 HD11 HG13 ' A' ' 27' ' ' ILE . 3.1 mt -91.74 152.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.557 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 2.2 m-85 -154.85 98.58 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.628 ' CD1' HD21 ' A' ' 92' ' ' LEU . 53.6 t80 -65.27 99.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.512 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 4.3 mp -68.95 160.69 77.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -75.0 -9.16 23.93 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.034 -0.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.66 136.36 10.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -163.74 58.67 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.17 72.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.25 -171.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.54 -73.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -98.99 33.64 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 6.7 ttmt -102.8 107.4 18.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.401 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 35.2 mmt180 -113.73 125.56 54.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 62' ' ' THR . 51.8 ttp180 -138.59 143.87 39.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.374 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.504 HG21 HG21 ' A' ' 27' ' ' ILE . 74.3 p -88.22 161.31 17.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.19 143.54 43.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.3 m -80.04 110.86 15.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 110.427 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.638 HG11 HG21 ' A' ' 68' ' ' THR . 1.1 t -78.84 142.46 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -117.42 127.5 54.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.482 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 2.0 mtpt 58.9 83.55 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.638 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -179.7 111.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.412 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.657 HD22 ' NH2' ' A' ' 42' ' ' ARG . 14.3 mt -72.97 -19.73 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.438 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 5.6 mt-10 -129.84 89.99 44.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.343 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.587 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.99 151.02 39.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.793 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -135.42 93.97 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.887 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.4 m-90 -87.98 -40.36 13.95 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER 38.97 33.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.564 ' O ' HG23 ' A' ' 26' ' ' THR . 0.8 OUTLIER -82.83 177.6 8.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 110.341 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.423 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 1.2 m -127.16 148.63 50.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.537 ' HB2' HG13 ' A' ' 25' ' ' VAL . 38.1 m-85 -149.12 125.2 10.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.405 HG23 ' HB3' ' A' ' 22' ' ' GLN . 4.5 mt -110.91 144.41 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.518 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 11.5 m-85 -136.19 111.68 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.514 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.15 161.08 40.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.514 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.1 Cg_endo -75.07 141.43 71.67 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.96 0.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.841 HG11 ' HB2' ' A' ' 23' ' ' LEU . 17.5 t -134.13 115.42 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 83' ' ' HIS . 0.9 OUTLIER -96.49 159.76 14.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 109.605 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 9.1 tpt180 -69.82 -33.87 72.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -17.95 54.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.34 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' ARG . 2.9 mm-40 -78.49 -15.14 58.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.407 ' CG ' ' HB3' ' A' ' 117' ' ' LEU . 6.9 m-30 -54.99 -50.82 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -65.39 -13.91 59.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -108.38 -4.06 17.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -142.91 120.6 11.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.403 ' CE ' HD23 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -120.98 148.54 43.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.631 HD23 HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -92.44 145.19 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.616 ' HG3' HD11 ' A' ' 114' ' ' LEU . 10.6 tt0 -131.71 91.99 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.447 ' H ' HD12 ' A' ' 94' ' ' ILE . 4.4 mp -86.1 149.14 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.791 HG22 ' HB2' ' A' ' 112' ' ' GLU . 1.3 p -141.34 145.5 35.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.822 HD13 HG22 ' A' ' 46' ' ' VAL . 28.9 tp -128.96 131.1 47.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -143.12 168.64 19.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 108.023 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' CG ' ' HB2' ' A' ' 42' ' ' ARG . 1.8 t0 -119.34 105.59 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.28 96.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 102' ' ' VAL . . . -118.0 170.27 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.905 ' O ' HG22 ' A' ' 102' ' ' VAL . 0.6 OUTLIER 66.53 -59.6 0.35 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.905 HG22 ' O ' ' A' ' 101' ' ' ARG . 1.0 OUTLIER 63.49 155.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.691 ' HG3' HG23 ' A' ' 102' ' ' VAL . 26.8 mtt180 64.33 22.67 12.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -166.81 -171.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.88 79.84 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.7 122.79 27.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.5 p -137.61 140.98 41.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.975 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.701 ' OE2' HD21 ' A' ' 110' ' ' LEU . 15.0 pt-20 -98.42 -2.83 38.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 108' ' ' GLU . 64.8 t80 36.35 93.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.701 HD21 ' OE2' ' A' ' 108' ' ' GLU . 72.7 mt -69.41 -14.91 63.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.32 154.66 7.9 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.791 ' HB2' HG22 ' A' ' 95' ' ' THR . 1.1 pt-20 -111.15 147.66 34.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.653 HD11 ' CD2' ' A' ' 131' ' ' LEU . 71.9 mt -119.06 101.75 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.616 HD11 ' HG3' ' A' ' 93' ' ' GLU . 1.4 mp -93.47 145.18 24.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.605 HD11 HG22 ' A' ' 113' ' ' ILE . 2.1 mp -142.05 122.88 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 119' ' ' THR . 38.5 mt-10 -84.26 104.84 14.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.631 HD21 HD23 ' A' ' 92' ' ' LEU . 16.6 mt -40.22 -32.63 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.02 -50.28 69.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 116' ' ' GLU . 76.1 p -110.86 28.37 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -83.37 106.02 14.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -67.91 89.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.68 HD23 ' HB3' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -91.61 128.95 37.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -179.07 38.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.1 t70 41.17 38.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -110.6 121.05 42.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.584 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.93 122.1 7.02 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -126.36 156.54 40.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.564 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.608 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 98.9 m95 -102.23 107.48 18.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 107.993 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -99.62 107.2 19.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -54.82 148.96 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.68 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -85.31 161.08 19.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -128.21 112.74 14.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 35.3 p -109.59 -15.57 14.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.63 81.14 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.603 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.13 123.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.43 -52.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 130.11 174.63 13.75 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 71.27 5.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.564 1.823 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.4 t -106.94 -56.35 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.04 -56.44 5.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.955 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t 53.05 87.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -141.37 169.68 17.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.12 176.62 2.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.572 1.17 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -176.21 98.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 0.747 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -169.27 152.01 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.003 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 131' ' ' LEU . . . -108.81 144.4 16.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . -98.82 -131.04 7.12 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -147.16 126.34 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.275 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -113.78 137.21 51.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.583 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 72.3 m -99.58 110.85 23.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.586 HD11 HD13 ' A' ' 10' ' ' LEU . 5.6 mt -122.37 121.86 64.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.657 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.0 ttmt -100.83 114.88 29.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.483 HD23 ' HB ' ' A' ' 25' ' ' VAL . 9.2 mt -107.6 153.33 23.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.422 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 6.0 t-105 -158.2 132.52 8.12 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.432 ' HE1' HG12 ' A' ' 82' ' ' VAL . 40.8 t80 -97.87 118.33 34.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.01 77.92 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -17.94 18.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.4 t -57.84 -68.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.75 3.38 65.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 63.82 49.3 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 0.78 . . . . 0.0 109.607 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.31 142.73 50.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.931 ' HB2' HG11 ' A' ' 82' ' ' VAL . 32.0 tp -95.91 118.02 31.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.6 mp -92.89 131.01 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.483 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -143.55 106.79 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.864 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -104.4 125.39 50.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.882 HG22 ' CE3' ' A' ' 73' ' ' TRP . 42.8 mm -87.47 88.16 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.657 HD21 ' CE ' ' A' ' 13' ' ' LYS . 10.1 mt -51.45 -99.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 71' ' ' PRO . . . -157.49 162.17 31.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.687 ' HB1' HD11 ' A' ' 33' ' ' LEU . . . -99.1 160.42 14.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -153.92 165.93 34.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 46.86 44.65 14.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.767 HD22 ' O ' ' A' ' 69' ' ' LEU . 1.4 mp -74.12 161.1 79.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.55 18.69 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.519 ' CB ' HD21 ' A' ' 69' ' ' LEU . 9.6 t 53.32 177.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 37' ' ' GLU . 1.1 mtm180 -132.1 48.37 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.566 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 2.0 mm-40 -46.42 174.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.566 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.3 t0 87.21 9.9 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 40' ' ' ARG . . . 154.89 84.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.499 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 5.8 mmt180 54.9 162.49 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 18.4 Cg_endo -74.97 -92.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.521 ' NH1' HD12 ' A' ' 69' ' ' LEU . 0.9 OUTLIER 157.45 -174.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.469 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 6.2 m-20 -121.18 93.69 48.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.468 ' HG3' ' NH1' ' A' ' 42' ' ' ARG . 18.1 Cg_endo -75.01 167.37 27.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.585 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 9.7 p90 -178.26 122.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.803 HG22 HD13 ' A' ' 96' ' ' LEU . 21.4 t -73.62 161.35 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -150.13 112.19 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.5 HD11 HG13 ' A' ' 27' ' ' ILE . 1.8 mt -91.42 153.32 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.584 ' CE1' ' C ' ' A' ' 54' ' ' ARG . 0.6 OUTLIER -154.85 97.72 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.456 ' HB3' ' CB ' ' A' ' 58' ' ' ASN . 16.0 t80 -65.45 105.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 77.8 mt -78.19 151.87 78.73 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -74.95 -171.14 8.96 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.97 -2.513 . . . . 0.0 110.995 -0.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.82 96.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.584 ' C ' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -106.23 41.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 110.266 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.2 p -157.97 113.26 2.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 60.72 175.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 76.78 -79.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 14.7 p30 -102.49 21.72 14.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -85.57 101.44 12.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.258 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.559 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -141.7 125.98 17.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 159.46 29.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.608 HG21 ' HB ' ' A' ' 27' ' ' ILE . 47.6 p -81.19 172.97 12.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -58.36 154.95 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.0 m -92.59 114.31 26.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -90.98 137.28 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 67' ' ' LYS . 11.1 mmtt -101.4 134.25 44.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 4.3 mtpm? 41.77 92.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' A' ' 68' ' ' THR . 0.7 OUTLIER -177.84 113.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.432 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.767 ' O ' HD22 ' A' ' 33' ' ' LEU . 2.2 mp -79.02 -17.79 54.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.412 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 3.1 mt-10 -125.94 80.27 67.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.677 ' HD2' ' HB3' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.01 142.96 28.46 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -128.32 96.04 4.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.882 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.8 m-90 -89.0 -41.37 12.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.423 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 40.39 35.09 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.864 ' O ' HG23 ' A' ' 26' ' ' THR . 1.9 mt-30 -83.21 -174.95 5.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.1 m -132.59 146.68 52.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.559 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 59.2 m-85 -149.65 113.06 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.8 mt -98.23 144.24 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.511 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 10.4 m-85 -135.57 112.6 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.35 160.26 42.75 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.976 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.5 Cg_endo -74.99 143.38 77.64 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.027 -0.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.931 HG11 ' HB2' ' A' ' 23' ' ' LEU . 24.1 t -136.39 106.15 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -93.97 165.67 12.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.64 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.5 tpt85 -73.81 -16.61 61.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.36 -12.43 27.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.3 mm-40 -86.35 -13.47 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 4.5 m-30 -57.84 -49.2 77.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.426 ' CB ' ' OE1' ' A' ' 118' ' ' GLU . 26.9 ptt180 -74.8 -4.49 38.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -106.58 -17.9 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.7 mpt_? -142.11 131.01 22.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.502 ' SD ' HD12 ' A' ' 114' ' ' LEU . 0.8 OUTLIER -119.2 155.51 31.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.705 HD12 HD21 ' A' ' 117' ' ' LEU . 6.6 mt -92.94 148.54 21.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.434 ' HG3' HD21 ' A' ' 114' ' ' LEU . 13.5 tt0 -134.17 92.11 2.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.692 ' N ' HD12 ' A' ' 94' ' ' ILE . 2.3 mp -95.9 140.25 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.564 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -143.72 150.31 38.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.378 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.803 HD13 HG22 ' A' ' 46' ' ' VAL . 16.2 tp -114.91 131.57 56.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.585 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -136.01 170.83 15.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 1.2 t0 -127.92 114.99 17.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.49 102.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -99.37 -71.59 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -69.88 168.43 15.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.2 m -94.57 -44.22 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -123.94 -54.0 1.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.0 161.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.26 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -103.17 98.01 8.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -149.39 85.59 1.45 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -96.69 116.64 29.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.638 ' OE2' HD21 ' A' ' 110' ' ' LEU . 20.7 pt-20 -60.02 -21.64 61.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.466 ' CD1' ' CZ3' ' A' ' 97' ' ' TRP . 52.0 t80 52.8 105.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.638 HD21 ' OE2' ' A' ' 108' ' ' GLU . 85.4 mt -75.97 -44.0 41.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.75 176.99 47.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.564 ' CB ' HG22 ' A' ' 95' ' ' THR . 1.0 OUTLIER -132.46 136.0 46.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 0.8 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.551 HD11 ' CD2' ' A' ' 131' ' ' LEU . 39.9 mt -120.92 103.42 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.502 HD12 ' SD ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -96.86 136.14 37.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.7 mt -137.17 120.55 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.488 ' CG ' ' HE3' ' A' ' 91' ' ' MET . 53.1 mt-10 -81.33 112.0 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.705 HD21 HD12 ' A' ' 92' ' ' LEU . 11.4 mt -44.88 -31.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.426 ' OE1' ' CB ' ' A' ' 88' ' ' ARG . 16.0 tt0 -57.68 -53.58 56.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 72.5 p -104.1 27.07 8.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.564 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -71.81 170.35 13.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.979 ' C ' HD13 ' A' ' 122' ' ' LEU . 5.8 mt -125.39 113.96 18.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.979 HD13 ' C ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -123.99 103.2 8.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -161.59 28.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.422 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 6.5 t0 49.18 41.97 20.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -120.15 126.14 26.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.499 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.95 125.79 9.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.547 1.814 . . . . 0.0 111.05 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -124.83 140.74 52.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.622 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.583 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 98.0 m95 -93.65 110.54 22.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -102.7 111.39 23.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -57.29 150.61 17.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.681 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -91.16 150.53 21.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 16.2 pt20 -128.82 113.4 15.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 35.8 p -94.72 -54.01 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 96.93 7.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.158 . . . . 0.0 109.618 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -93.33 -52.82 4.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 42.76 89.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -120.92 175.01 15.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.18 3.73 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.08 165.0 6.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.3 t -113.15 126.11 55.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.49 142.84 3.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.42 155.87 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.059 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.49 142.09 3.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.5 p -161.87 167.91 23.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.753 . . . . 0.0 110.013 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.7 p -54.35 -172.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.4 160.62 29.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.62 -117.02 3.76 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -141.95 151.76 42.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.124 HD23 HD11 ' A' ' 12' ' ' ILE . 23.0 tp -131.94 138.61 48.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.458 ' OG ' ' CH2' ' A' ' 128' ' ' TRP . 66.7 m -98.51 115.32 28.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 1.124 HD11 HD23 ' A' ' 10' ' ' LEU . 4.4 mt -126.81 122.78 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.0 ttmt -100.31 114.04 27.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.745 ' HB3' HD23 ' A' ' 122' ' ' LEU . 65.2 mt -103.01 147.84 26.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.605 ' CE3' ' CG ' ' A' ' 124' ' ' ASP . 5.4 t-105 -158.72 135.82 9.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 107.982 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.663 ' HB2' HD13 ' A' ' 122' ' ' LEU . 65.3 t80 -100.87 137.91 38.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.476 ' OD1' ' CG2' ' A' ' 19' ' ' VAL . 26.0 t70 -112.66 109.09 18.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.4 -27.02 16.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.755 HG23 ' H ' ' A' ' 20' ' ' GLY . 12.2 m -48.56 -64.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.755 ' H ' HG23 ' A' ' 19' ' ' VAL . . . -100.91 0.22 55.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 80' ' ' SER . 34.8 m170 67.7 71.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 109.585 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 17' ' ' ASP . 1.0 OUTLIER -144.61 163.51 33.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.843 ' HB2' HG11 ' A' ' 82' ' ' VAL . 53.8 tp -117.0 117.87 30.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.642 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.3 mp -89.24 127.18 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -130.44 104.26 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -106.0 126.2 51.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.379 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.95 HG22 ' CE3' ' A' ' 73' ' ' TRP . 35.2 mm -98.34 91.76 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 126' ' ' PRO . 10.9 mt -54.92 -100.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.56 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.07 166.12 35.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.584 ' HB2' ' CD1' ' A' ' 10' ' ' LEU . . . -103.18 174.39 5.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -159.86 171.78 18.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.35 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LYS . 26.0 m-20 40.53 44.8 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.705 HD21 HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -79.04 142.8 60.28 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.447 ' O ' ' NH2' ' A' ' 42' ' ' ARG . 18.5 Cg_endo -74.97 91.64 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.78 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.471 ' CB ' HD21 ' A' ' 69' ' ' LEU . 4.8 t -62.23 -168.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -106.58 -172.79 2.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.1 mt-10 -43.97 169.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.93 62.86 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' GLU . . . -135.32 -92.67 0.4 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.69 157.48 76.47 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -161.68 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.641 HH12 HD23 ' A' ' 33' ' ' LEU . 6.0 ptt85 -135.48 -173.07 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -113.82 91.69 22.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HG2' ' HG3' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -75.01 156.36 42.95 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.564 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.7 p90 -168.68 131.97 1.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.759 HG22 HD13 ' A' ' 96' ' ' LEU . 17.2 t -86.02 161.51 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CD ' ' CE2' ' A' ' 49' ' ' TYR . 1.3 ttmm -148.67 112.17 5.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.232 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.716 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.6 mt -91.9 149.04 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.548 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 0.9 OUTLIER -152.81 99.85 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.656 ' CD2' HD21 ' A' ' 92' ' ' LEU . 14.9 t80 -65.0 89.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.546 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 46.7 mt -59.25 152.79 51.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.04 -21.2 15.65 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.959 -2.517 . . . . 0.0 110.979 0.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 54' ' ' ARG . 0.5 OUTLIER -40.51 137.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.538 ' HG3' HD23 ' A' ' 51' ' ' LEU . 19.3 mtm180 -170.1 90.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.14 -74.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' LYS . 2.2 t0 -158.63 -45.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -40.06 -57.22 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -113.02 55.7 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.548 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 6.1 ttmt -116.8 84.23 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.569 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 31.8 mmt180 -88.45 119.07 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.96 138.66 45.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.461 HG21 ' HB ' ' A' ' 27' ' ' ILE . 73.7 p -83.12 169.08 16.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.35 145.77 55.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.2 m -81.09 117.09 21.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.631 HG11 HG21 ' A' ' 68' ' ' THR . 0.4 OUTLIER -87.06 143.07 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -107.69 136.59 47.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt 40.72 87.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.631 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.72 110.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.471 HD21 ' CB ' ' A' ' 35' ' ' SER . 63.3 mt -77.71 -16.96 58.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 4.4 mt-10 -124.26 80.25 59.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.614 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.0 Cg_endo -75.0 146.88 33.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -130.41 94.02 3.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.95 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.0 m-90 -87.89 -42.7 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 73' ' ' TRP . 1.7 m120 37.62 40.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 26' ' ' THR . 2.4 mm100 -87.93 177.88 6.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -132.02 133.45 44.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 23.6 m-85 -135.11 113.02 10.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.1 mt -95.22 128.71 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.54 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.3 OUTLIER -116.13 114.08 23.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.487 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.16 160.13 43.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.2 Cg_endo -75.03 143.37 77.58 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.028 -2.488 . . . . 0.0 110.954 0.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 23' ' ' LEU . 22.4 t -135.7 128.6 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -111.83 169.73 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.542 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.406 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 10.3 tpt180 -79.93 -34.84 38.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -11.02 59.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' OE1' ' NH1' ' A' ' 90' ' ' ARG . 1.8 mm-40 -85.51 -3.74 58.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 4.2 m-30 -67.43 -36.84 82.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.475 ' N ' ' OE1' ' A' ' 118' ' ' GLU . 1.4 ptt180 -84.54 38.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -149.62 -32.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.251 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.575 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 1.1 mpp_? -129.72 125.89 36.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.622 ' HE1' ' HB3' ' A' ' 114' ' ' LEU . 0.8 OUTLIER -115.87 153.27 31.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.989 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.656 HD21 ' CD2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -93.92 144.8 25.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.482 ' HG3' HD21 ' A' ' 114' ' ' LEU . 12.5 tt0 -134.08 92.84 3.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.648 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.6 mp -88.84 140.33 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.561 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -143.32 151.02 40.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.396 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.759 HD13 HG22 ' A' ' 46' ' ' VAL . 17.8 tp -113.86 137.41 51.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -143.76 165.51 27.46 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.418 ' HB3' ' CG ' ' A' ' 108' ' ' GLU . 2.7 t0 -121.03 129.07 53.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.63 102.24 8.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 106' ' ' GLU . . . -94.37 179.7 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 59.7 153.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.4 m -59.39 -38.06 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 -115.77 156.72 25.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -62.86 124.71 21.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -176.45 -58.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 100' ' ' ALA . 21.9 mt-10 -101.62 105.14 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.1 m -116.15 122.95 46.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.418 ' CG ' ' HB3' ' A' ' 98' ' ' ASP . 0.7 OUTLIER -89.73 151.71 21.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.598 ' CZ ' ' C ' ' A' ' 111' ' ' GLY . 38.7 t80 -98.81 122.64 42.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.6 mt -85.93 -45.88 11.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.598 ' C ' ' CZ ' ' A' ' 109' ' ' PHE . . . -177.34 -169.4 38.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.561 ' CB ' HG22 ' A' ' 95' ' ' THR . 6.4 pt-20 -147.9 143.49 27.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.76 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.466 HD11 ' HG ' ' A' ' 131' ' ' LEU . 23.7 mt -128.88 109.43 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.622 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 0.1 OUTLIER -98.39 129.43 45.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.412 ' CD1' HG22 ' A' ' 113' ' ' ILE . 4.7 mt -137.43 123.94 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.587 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 2.0 mt-10 -89.6 126.05 35.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.57 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 20.2 mt -54.9 -39.42 68.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 88' ' ' ARG . 3.0 tp10 -57.0 -51.67 68.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.5 p -107.26 31.58 5.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 116' ' ' GLU . . . -77.95 157.07 29.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.8 mt -99.59 90.85 4.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.745 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.1 mt -105.22 118.34 36.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.454 ' C ' ' N ' ' A' ' 125' ' ' GLU . 3.8 t0 -176.03 36.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.605 ' CG ' ' CE3' ' A' ' 15' ' ' TRP . 11.0 m-20 38.75 31.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.478 ' O ' ' CE1' ' A' ' 127' ' ' HIS . 3.5 mt-10 -114.48 129.81 24.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.551 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 127.52 10.75 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' A' ' 125' ' ' GLU . 20.9 m80 -125.43 141.27 52.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.577 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 93.5 m95 -92.19 105.85 17.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 108.024 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 127' ' ' HIS . 43.0 m-85 -95.2 114.33 26.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -61.36 140.6 57.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.466 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -87.28 143.78 27.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -120.11 116.06 24.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 62.0 p -103.43 118.01 35.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 64.49 64.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.5 95.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.5 t -156.35 -57.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.024 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 104.75 170.52 24.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 119.46 5.67 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.474 1.776 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.44 132.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.02 135.98 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.36 129.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -76.8 177.92 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.013 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.16 109.21 2.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.144 . . . . 0.0 111.053 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 p -163.39 160.57 23.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m 62.35 98.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.492 ' CA ' ' HB2' ' A' ' 131' ' ' LEU . . . -66.9 146.76 48.7 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.438 1.086 . . . . 0.0 111.033 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . -100.91 -133.01 7.97 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -150.13 118.39 6.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.668 HD23 HD11 ' A' ' 12' ' ' ILE . 36.5 tp -103.93 141.62 35.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.592 ' OG ' ' CE3' ' A' ' 128' ' ' TRP . 71.6 m -106.53 114.06 27.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.037 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.668 HD11 HD23 ' A' ' 10' ' ' LEU . 4.8 mt -126.53 129.38 71.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.521 ' CE ' HD21 ' A' ' 28' ' ' LEU . 4.1 ttmt -104.96 114.58 28.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.7 mt -102.21 147.16 26.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.429 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 3.8 t-105 -157.85 140.17 14.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 108.016 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.422 ' CD1' ' HZ ' ' A' ' 87' ' ' PHE . 68.9 t80 -104.05 146.29 28.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.705 ' CG ' HG22 ' A' ' 19' ' ' VAL . 5.8 t0 -122.1 118.2 28.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 -20.82 20.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.831 HG23 ' H ' ' A' ' 20' ' ' GLY . 6.0 m -45.97 -68.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.831 ' H ' HG23 ' A' ' 19' ' ' VAL . . . -109.75 5.84 31.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 80' ' ' SER . 29.8 m80 67.11 68.56 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.536 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -130.06 160.24 34.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.688 ' HB2' HG11 ' A' ' 82' ' ' VAL . 25.1 tp -111.98 114.56 27.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.59 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.5 mp -84.32 132.88 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 t -138.04 103.24 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -106.34 118.24 36.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.436 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.898 HG13 HD11 ' A' ' 48' ' ' ILE . 35.1 mm -89.1 97.43 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 126' ' ' PRO . 12.7 mt -61.12 -100.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.58 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -163.15 160.08 32.63 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.656 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -92.84 175.44 6.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.599 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -159.96 162.78 34.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 52.13 50.9 17.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.656 HD21 ' HB1' ' A' ' 30' ' ' ALA . 29.4 mt -86.48 157.16 56.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.426 ' CG ' HD22 ' A' ' 110' ' ' LEU . 18.5 Cg_endo -74.98 128.88 11.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 0.0 111.047 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.6 p -105.41 -173.02 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -123.14 166.13 15.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -51.64 171.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 37' ' ' GLU . 13.1 m-20 62.64 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 37' ' ' GLU . . . 157.5 46.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.27 117.35 57.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.434 ' HG2' ' CB ' ' A' ' 67' ' ' LYS . 18.3 Cg_endo -74.98 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' NH1' ' OD2' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -141.83 -175.23 4.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 16.6 m-20 -115.21 89.01 19.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 169.09 23.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -179.18 127.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.764 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 6.6 t -87.74 159.15 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HD3' ' CE2' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -148.64 108.16 3.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.898 HD11 HG13 ' A' ' 27' ' ' ILE . 2.7 mt -92.36 153.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.506 ' O ' HD13 ' A' ' 51' ' ' LEU . 1.1 m-85 -154.91 98.11 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -61.58 96.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 49' ' ' TYR . 5.4 mp -69.84 160.89 78.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.05 -171.81 9.92 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.963 0.042 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 t0 68.35 153.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -145.83 102.34 3.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.65 -178.63 2.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 57' ' ' LYS . 5.5 t0 -61.75 -178.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER 82.15 -72.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -100.96 36.26 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 5.3 ttpt -117.95 153.83 32.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.539 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 41.5 mmt180 -142.26 122.34 13.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -133.39 149.21 51.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.499 HG22 ' CE2' ' A' ' 77' ' ' PHE . 68.9 p -98.33 173.43 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 142.86 54.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.3 m -80.31 113.12 18.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.752 HG11 HG21 ' A' ' 68' ' ' THR . 1.5 t -79.14 146.91 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -120.37 130.67 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.434 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 13.0 mttp 49.8 88.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.752 HG21 HG11 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -176.96 114.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.5 mt -74.32 -20.05 60.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -130.25 89.82 43.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.401 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.4 Cg_endo -74.97 152.95 41.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -140.62 103.08 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.858 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.1 m-90 -95.61 -45.79 6.9 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER 40.66 37.43 0.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.406 ' O ' HG23 ' A' ' 26' ' ' THR . 2.7 mm100 -87.54 177.61 7.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 m -128.57 140.17 51.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.539 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 30.7 m-85 -143.27 114.76 8.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.5 mt -96.37 145.86 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.5 OUTLIER -135.45 111.0 9.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.488 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -147.81 160.27 38.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.985 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -75.02 143.97 79.45 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.984 0.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.688 HG11 ' HB2' ' A' ' 23' ' ' LEU . 4.3 t -129.23 128.58 66.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.579 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 2.2 m-70 -105.14 170.28 7.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.599 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' HD2' ' CE2' ' A' ' 87' ' ' PHE . 1.0 OUTLIER -85.76 -33.48 21.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -1.19 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.295 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -91.44 -35.35 14.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 83' ' ' HIS . 13.7 m-30 -36.18 -31.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -65.24 -77.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -61.59 -21.41 64.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 87' ' ' PHE . 7.9 mpt_? -106.63 108.03 19.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.56 ' HE3' ' HG2' ' A' ' 116' ' ' GLU . 4.2 ttt -122.92 150.75 42.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.542 HD12 HD21 ' A' ' 117' ' ' LEU . 15.9 mt -92.49 147.52 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.519 ' HG3' HD21 ' A' ' 114' ' ' LEU . 7.2 tt0 -137.14 98.28 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 94' ' ' ILE . 2.8 mp -96.4 142.47 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.539 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -144.65 141.59 29.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.74 HD13 HG22 ' A' ' 46' ' ' VAL . 17.4 tp -110.43 137.97 47.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -144.39 165.9 26.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 108.042 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.444 ' OD2' ' NH1' ' A' ' 42' ' ' ARG . 1.6 t0 -125.67 112.29 15.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.19 100.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -112.9 -170.71 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 49.65 -161.23 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 1.2 p -170.15 -48.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -106.06 63.31 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 167.33 -33.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 67.36 96.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -128.81 119.57 24.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.258 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 p -98.36 122.71 41.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.5 ' OE2' HD21 ' A' ' 110' ' ' LEU . 18.7 pt-20 -77.93 -9.73 59.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 21.3 t80 41.76 90.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.718 HD12 ' HG ' ' A' ' 96' ' ' LEU . 60.8 mt -57.39 -39.44 76.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.554 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 167.42 -179.02 41.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.539 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.1 pt-20 -131.69 135.24 46.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 0.798 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.781 HD11 ' CD2' ' A' ' 131' ' ' LEU . 7.8 mt -120.35 105.64 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.525 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 0.2 OUTLIER -97.97 133.88 41.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.555 HD12 HD13 ' A' ' 94' ' ' ILE . 4.8 mt -136.91 120.72 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.56 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 4.2 mt-10 -87.16 121.15 29.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 92' ' ' LEU . 10.8 mt -45.3 -53.79 7.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.451 ' N ' ' HB3' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -45.82 -28.39 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' GLU . 1.5 p -122.61 28.69 7.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -92.91 107.01 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 1.006 ' O ' HD12 ' A' ' 121' ' ' LEU . 3.9 pp -64.14 99.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.66 124.95 45.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 125' ' ' GLU . 1.6 t0 176.12 39.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.429 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 29.5 t70 38.72 32.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 123' ' ' ASP . 5.0 mt-10 -107.6 121.27 44.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.597 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.97 122.95 7.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.457 1.767 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.84 139.7 53.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.573 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.599 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 84.6 m95 -87.52 122.5 31.32 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -113.25 115.44 28.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 11.2 mtmt -63.81 154.43 33.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.781 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -93.93 157.01 16.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -128.24 113.08 15.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 16.6 p -105.59 92.52 4.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.3 77.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.65 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.98 161.23 28.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.2 t -129.83 -57.18 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -168.71 172.78 43.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.444 1.09 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.67 24.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.3 91.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 46.2 t -155.4 -58.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.47 -61.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.009 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -134.58 156.26 48.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.0 -159.43 22.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 m 61.41 161.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 0.741 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.4 p -117.02 162.48 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.91 142.15 25.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . -114.67 -129.66 4.76 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -145.79 119.75 9.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 0.774 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.56 HD13 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -104.23 132.24 50.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 128' ' ' TRP . 6.5 t -95.6 127.2 41.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.56 HD11 HD13 ' A' ' 10' ' ' LEU . 15.9 mt -141.6 167.04 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.616 ' HB2' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -133.89 132.59 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.598 HD23 ' HB ' ' A' ' 25' ' ' VAL . 7.5 mt -128.04 149.99 50.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -157.42 155.22 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.695 ' HB2' HD13 ' A' ' 122' ' ' LEU . 45.0 t80 -120.08 122.71 41.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -101.86 93.03 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -20.85 65.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.5 t -51.54 -71.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.84 2.9 62.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 65.74 53.21 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 109.586 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.467 ' HB3' HG23 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -121.38 143.84 48.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.66 ' HB2' HG11 ' A' ' 82' ' ' VAL . 10.7 tp -97.33 115.12 27.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.557 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.4 mp -88.84 135.48 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.598 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -150.93 126.72 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.831 HG22 HD12 ' A' ' 28' ' ' LEU . 1.2 m -123.23 125.11 44.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.961 HG13 HD11 ' A' ' 48' ' ' ILE . 41.4 mm -85.79 86.31 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.858 HD21 ' HB3' ' A' ' 126' ' ' PRO . 0.2 OUTLIER -49.94 -99.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.62 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -164.32 159.59 32.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.571 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -93.57 169.84 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -157.39 167.27 30.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 50.59 49.06 21.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.571 HD21 ' HB1' ' A' ' 30' ' ' ALA . 20.1 mt -85.79 151.19 54.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 113.68 3.85 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.453 ' HA ' ' NH1' ' A' ' 42' ' ' ARG . 39.4 p -83.8 -172.62 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -107.23 -65.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER 167.18 173.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 41.19 30.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.343 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 37' ' ' GLU . . . 63.01 56.62 19.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -107.95 104.31 52.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HB2' ' HA ' ' A' ' 67' ' ' LYS . 18.2 Cg_endo -74.99 -161.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.453 ' NH1' ' HA ' ' A' ' 35' ' ' SER . 0.4 OUTLIER -158.4 -172.38 3.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 28.2 m-20 -116.55 82.21 12.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 165.18 31.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.2 p90 -171.81 136.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.707 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 5.2 t -89.2 160.24 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -143.82 106.99 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.961 HD11 HG13 ' A' ' 27' ' ' ILE . 1.7 mt -91.67 150.58 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.488 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 2.4 m-85 -154.59 102.64 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.506 ' CD1' HD21 ' A' ' 92' ' ' LEU . 48.0 t80 -74.28 92.19 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.602 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -80.3 156.06 74.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.602 ' HA ' ' HB3' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 132.37 27.33 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.02 -0.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 0.3 OUTLIER 159.81 155.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -175.46 168.78 3.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 2.5 t 84.86 -59.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -164.39 -165.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.35 -73.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -106.61 35.96 2.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.488 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 3.5 ttpt -103.02 128.12 49.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -142.5 131.57 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -139.12 146.65 40.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.419 HG21 ' HB ' ' A' ' 27' ' ' ILE . 61.6 p -83.33 172.45 12.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.59 144.03 55.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.513 HG21 ' OE1' ' A' ' 99' ' ' GLN . 16.7 m -80.2 116.23 20.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.739 HG11 HG21 ' A' ' 68' ' ' THR . 1.4 t -79.39 148.09 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' LYS . 12.3 mmtt -113.15 123.31 49.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 41' ' ' PRO . 32.7 mtpt 48.14 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.739 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -177.97 114.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 69' ' ' LEU . 21.7 mt -73.84 -20.82 60.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -129.28 90.87 43.47 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.546 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.3 Cg_endo -75.0 152.9 41.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -140.36 103.12 4.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.883 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.3 m-90 -101.58 -47.7 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 108.021 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER 38.91 38.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.715 ' O ' HG23 ' A' ' 26' ' ' THR . 1.7 mm100 -80.03 177.07 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.515 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 20.8 m -117.23 140.75 49.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 110.368 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 30.0 m-85 -148.43 114.5 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 22' ' ' GLN . 5.1 mt -104.05 145.12 13.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 7.2 m-85 -135.08 110.93 9.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.66 160.43 41.28 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.0 142.49 74.91 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.97 0.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.66 HG11 ' HB2' ' A' ' 23' ' ' LEU . 11.2 t -132.68 117.5 30.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -105.41 157.33 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.61 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -67.84 -29.17 68.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -6.18 55.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.3 mm-40 -99.8 -12.45 19.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 3.7 m-30 -55.71 -53.93 50.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -64.02 -11.46 29.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -110.42 -1.63 16.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -144.88 122.06 11.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -126.44 148.96 49.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.704 HD23 HD21 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -93.75 143.66 26.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.516 ' CB ' HD11 ' A' ' 51' ' ' LEU . 21.8 tt0 -131.03 97.68 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.788 HD13 HD12 ' A' ' 115' ' ' ILE . 2.9 mp -97.21 131.01 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.71 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -129.67 148.96 51.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.499 HD13 HG22 ' A' ' 46' ' ' VAL . 20.2 tp -115.46 138.87 50.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.579 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 2.7 m95 -140.76 176.3 8.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 2.1 t0 -130.72 99.07 4.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.513 ' OE1' HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER -50.59 94.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 106' ' ' GLU . . . -81.59 -68.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.415 ' C ' HG12 ' A' ' 102' ' ' VAL . 4.7 mmt180 -93.67 -69.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.445 HG22 ' CD ' ' A' ' 103' ' ' ARG . 1.2 p 176.22 148.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.445 ' CD ' HG22 ' A' ' 102' ' ' VAL . 2.5 mtt180 60.09 -179.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -90.17 59.02 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -124.1 -67.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' A' ' 100' ' ' ALA . 10.4 mt-10 -98.89 48.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.79 153.71 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.66 127.03 51.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.61 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 39.4 t80 -71.95 112.86 8.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 90.3 mt -80.16 -27.4 39.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.61 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 153.88 170.35 19.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.71 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.4 pt-20 -132.43 136.42 46.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.628 HD11 HD22 ' A' ' 131' ' ' LEU . 23.7 mt -117.5 121.98 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -107.24 135.74 48.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.788 HD12 HD13 ' A' ' 94' ' ' ILE . 7.8 mt -135.05 118.07 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.452 ' CG ' ' HE3' ' A' ' 91' ' ' MET . 39.2 mt-10 -88.49 113.6 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.704 HD21 HD23 ' A' ' 92' ' ' LEU . 17.5 mt -50.85 -29.13 11.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -53.69 -52.4 60.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.6 p -117.15 26.13 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -66.52 149.81 49.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.9 90.75 8.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.695 HD13 ' HB2' ' A' ' 16' ' ' PHE . 7.0 mt -106.43 106.96 17.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -171.71 34.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.8 t0 48.8 25.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -115.0 108.55 48.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.858 ' HB3' HD21 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.95 130.98 13.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -125.75 144.19 50.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.617 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.589 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 86.2 m95 -78.69 125.0 28.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.055 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.464 ' HB2' HD13 ' A' ' 113' ' ' ILE . 45.8 m-85 -112.04 129.94 56.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 2.7 mtmt -66.09 157.3 31.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.639 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -95.93 165.98 12.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -128.61 112.42 14.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 44.2 p -107.72 2.03 23.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.38 159.32 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.658 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -134.08 151.37 51.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.1 m -120.94 128.44 52.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 54.02 175.13 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.576 1.172 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.11 29.87 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.76 80.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 10.0 t 47.98 84.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -163.9 152.47 13.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.767 . . . . 0.0 109.96 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -159.91 163.99 33.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.51 -154.1 8.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.0 m -155.31 162.37 40.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 110.031 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -171.08 161.69 6.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.011 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.48 152.18 16.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.45 -129.9 2.51 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -139.07 135.08 33.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.596 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -115.84 136.56 52.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.568 ' HB2' ' CH2' ' A' ' 128' ' ' TRP . 2.4 t -102.36 120.44 40.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.596 HD11 HD13 ' A' ' 10' ' ' LEU . 7.5 mt -132.7 131.72 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.771 ' CE ' HD21 ' A' ' 28' ' ' LEU . 2.4 ttmt -106.05 114.8 29.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.439 ' CD2' HG13 ' A' ' 25' ' ' VAL . 88.4 mt -105.35 145.27 30.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.41 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.6 t-105 -154.22 132.84 12.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.027 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.464 ' HE1' HG12 ' A' ' 82' ' ' VAL . 65.7 t80 -91.38 148.7 22.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.518 ' OD2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -122.56 112.32 17.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.92 -24.2 16.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.163 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.726 HG23 ' H ' ' A' ' 20' ' ' GLY . 13.3 m -50.24 -63.48 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.726 ' H ' HG23 ' A' ' 19' ' ' VAL . . . -104.25 1.54 43.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.485 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 89.1 m-70 68.03 62.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 0.788 . . . . 0.0 109.57 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -129.77 174.55 9.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.83 ' HB2' HG11 ' A' ' 82' ' ' VAL . 59.7 tp -127.57 115.17 18.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.687 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.3 mp -86.14 133.3 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.439 HG13 ' CD2' ' A' ' 14' ' ' LEU . 40.8 t -136.08 96.88 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.9 125.11 40.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.873 HG13 HD11 ' A' ' 48' ' ' ILE . 49.9 mm -96.93 91.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.771 HD21 ' CE ' ' A' ' 13' ' ' LYS . 15.4 mt -53.99 -100.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.582 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.35 170.26 35.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.441 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -107.47 164.2 12.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -157.44 151.65 24.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t0 73.73 42.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.441 HD21 ' HB1' ' A' ' 30' ' ' ALA . 19.4 mt -91.62 157.56 41.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 142.75 28.4 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.485 1.781 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.965 ' CB ' HD21 ' A' ' 69' ' ' LEU . 64.1 p -145.14 -172.4 3.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -105.3 131.88 52.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -48.16 -80.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.28 40.01 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.22 -118.89 2.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -144.09 160.66 48.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 0.794 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HG2' ' CB ' ' A' ' 67' ' ' LYS . 18.3 Cg_endo -75.03 -161.9 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -137.11 -174.86 3.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -116.18 90.42 28.88 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 162.05 37.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 1.9 p90 -173.38 131.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.867 HG22 HD13 ' A' ' 96' ' ' LEU . 19.7 t -86.32 162.15 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.401 ' N ' HG12 ' A' ' 46' ' ' VAL . 14.8 ttpt -149.18 110.36 4.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.873 HD11 HG13 ' A' ' 27' ' ' ILE . 3.3 mt -92.04 149.89 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -153.93 98.75 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.589 ' CZ ' HD11 ' A' ' 117' ' ' LEU . 0.8 OUTLIER -75.18 108.62 8.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.518 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -73.09 155.15 90.46 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.07 -168.99 6.96 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.965 -2.515 . . . . 0.0 110.976 0.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.2 m-20 77.01 135.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' C ' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -134.34 27.1 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' ASP . 36.0 t -137.93 110.6 7.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' SER . 1.4 t0 40.13 -154.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt 67.97 -82.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -111.25 49.51 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 3.1 ttpt -120.02 112.0 18.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.3 mmt-85 -113.63 120.58 41.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.45 139.77 53.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.8 p -82.58 168.62 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.399 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 145.07 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.1 m -80.63 115.19 20.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.552 HG11 HG21 ' A' ' 68' ' ' THR . 0.6 OUTLIER -85.06 147.21 5.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -119.69 138.76 53.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.453 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 22.2 mtpt 44.59 85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.552 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.15 112.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.421 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.965 HD21 ' CB ' ' A' ' 35' ' ' SER . 4.5 mp -75.45 -19.61 59.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -128.12 87.39 55.6 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.4 Cg_endo -74.99 152.33 40.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -137.73 97.21 3.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.809 ' CZ2' HG23 ' A' ' 46' ' ' VAL . 4.6 m-90 -89.56 -43.35 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 107.996 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER 38.81 40.61 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.02 -176.77 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 m -137.17 130.16 30.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' VAL . 27.2 m-85 -131.39 113.6 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 12.3 mt -94.87 137.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.516 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.6 m-85 -127.2 113.87 16.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.516 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -145.59 161.28 41.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.516 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -75.0 144.64 81.59 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.958 0.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.83 HG11 ' HB2' ' A' ' 23' ' ' LEU . 24.8 t -137.37 121.53 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -110.29 160.76 16.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.615 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -77.05 -13.07 60.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.26 -5.88 42.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -97.33 -16.24 20.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.54 ' CD1' ' HB3' ' A' ' 117' ' ' LEU . 3.3 m-30 -50.56 -56.25 12.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -57.12 -16.23 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -114.6 25.24 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.643 ' HB3' HD12 ' A' ' 117' ' ' LEU . 3.2 mtt180 -160.07 145.85 15.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.493 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 1.1 ttt -145.8 141.27 27.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.7 mt -93.31 151.42 19.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.476 ' C ' HD12 ' A' ' 94' ' ' ILE . 18.9 tt0 -138.27 115.01 10.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.812 ' N ' HD12 ' A' ' 94' ' ' ILE . 1.9 mp -114.41 145.92 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.505 HG22 ' CB ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -145.56 143.49 29.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.867 HD13 HG22 ' A' ' 46' ' ' VAL . 17.7 tp -112.62 133.14 54.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -140.21 173.75 11.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 107.982 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' ALA . 0.9 OUTLIER -130.38 112.65 13.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.83 90.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' ASP . . . -95.05 -172.25 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 49.26 -178.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 103' ' ' ARG . 26.0 m -116.12 -45.91 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.406 ' N ' HG23 ' A' ' 102' ' ' VAL . 36.8 mtt85 -138.01 90.31 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 171.86 156.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -87.57 43.52 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.73 121.74 28.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 p -123.98 123.31 40.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -78.15 -24.62 47.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 111' ' ' GLY . 55.1 t80 53.26 105.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.63 HD12 ' HG ' ' A' ' 96' ' ' LEU . 52.3 mt -77.3 -34.44 55.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.473 ' O ' ' CE1' ' A' ' 109' ' ' PHE . . . 169.57 -173.25 43.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.505 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.2 pt-20 -143.01 140.82 31.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 110.306 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.452 HD11 ' HG ' ' A' ' 131' ' ' LEU . 26.3 mt -125.72 116.09 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.493 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -107.55 134.3 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.7 mt -135.75 124.71 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 120' ' ' ALA . 20.3 mt-10 -89.7 125.67 35.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 90' ' ' ARG . 10.5 mt -54.65 -36.76 64.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -52.92 -51.54 60.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.1 p -107.14 26.15 10.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -71.04 165.43 23.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.998 ' C ' HD13 ' A' ' 122' ' ' LEU . 10.7 mt -124.39 112.39 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.998 HD13 ' C ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -125.05 87.84 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.44 32.26 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 48.29 35.63 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.087 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -116.44 123.1 31.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.739 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.96 124.28 8.53 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -123.45 134.75 53.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 11' ' ' SER . 90.3 m95 -88.34 106.47 18.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 107.983 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -90.86 142.1 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -76.26 145.58 39.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.452 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -93.7 140.71 29.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -114.05 117.27 30.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 7.0 p -99.89 97.37 8.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.75 163.32 38.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.631 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -93.26 149.87 20.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.9 p -170.36 159.06 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.012 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -151.3 172.25 30.85 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.15 8.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 85.2 p -123.16 87.38 2.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.9 t 50.05 95.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 110.972 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 p -158.1 147.5 19.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 t 63.15 166.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.022 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.51 -157.94 15.55 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.69 177.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.021 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 m 57.71 -177.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.22 164.73 31.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -117.84 -130.3 4.27 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -128.45 137.87 52.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.496 HD23 ' H ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -119.23 140.39 50.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.496 ' H ' HD23 ' A' ' 10' ' ' LEU . 3.3 t -108.99 122.28 46.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.403 HD11 HD13 ' A' ' 10' ' ' LEU . 4.8 mt -132.28 132.94 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.816 ' CE ' HD21 ' A' ' 28' ' ' LEU . 4.8 ttmt -106.76 125.85 51.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.46 HD23 ' HB ' ' A' ' 25' ' ' VAL . 11.4 mt -119.34 149.26 42.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.474 ' CA ' ' HB3' ' A' ' 122' ' ' LEU . 4.3 t-105 -155.84 130.15 8.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.569 ' HE1' HG12 ' A' ' 82' ' ' VAL . 44.0 t80 -95.91 119.76 34.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' HIS . 1.0 OUTLIER -95.91 81.14 3.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -18.77 59.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.6 -71.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.41 1.67 82.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 17' ' ' ASP . 30.2 m80 62.42 54.28 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.97 150.43 50.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.843 ' HB2' HG11 ' A' ' 82' ' ' VAL . 17.8 tp -101.35 117.98 36.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.581 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.5 mp -93.92 123.71 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -135.69 105.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -102.58 115.66 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.404 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.987 HG13 HD11 ' A' ' 48' ' ' ILE . 46.1 mm -78.6 96.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.816 HD21 ' CE ' ' A' ' 13' ' ' LYS . 16.7 mt -59.28 -100.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.503 ' HA2' ' CE3' ' A' ' 73' ' ' TRP . . . -162.61 159.32 31.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.424 1.077 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.861 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -95.91 163.05 13.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.562 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.13 168.58 26.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 48.21 40.04 13.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.861 HD21 ' HB1' ' A' ' 30' ' ' ALA . 56.3 mt -74.39 157.06 86.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.454 ' O ' ' NH2' ' A' ' 42' ' ' ARG . 18.5 Cg_endo -74.98 95.03 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.797 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.482 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 8.5 t -89.4 -130.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER 71.39 173.86 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 65.05 133.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t70 73.69 -59.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.71 -43.72 1.32 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -86.06 163.44 43.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.511 ' HG2' ' HB2' ' A' ' 67' ' ' LYS . 18.2 Cg_endo -75.06 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.781 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.494 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -137.4 -170.67 2.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.327 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.553 ' ND2' ' HA ' ' A' ' 66' ' ' LYS . 2.8 m120 -113.41 83.48 6.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 18.4 Cg_endo -75.01 166.58 28.89 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 34.7 p90 -170.17 122.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.869 HG22 HD13 ' A' ' 96' ' ' LEU . 7.3 t -77.28 158.16 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 111.31 6.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.987 HD11 HG13 ' A' ' 27' ' ' ILE . 3.5 mt -91.53 146.63 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 59' ' ' LYS . 0.9 OUTLIER -154.73 98.64 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.637 ' CZ ' HD11 ' A' ' 117' ' ' LEU . 7.7 t80 -66.36 104.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.647 HD11 ' HB2' ' A' ' 93' ' ' GLU . 60.7 mt -73.93 151.35 88.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.04 -167.42 5.64 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.977 0.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.3 t70 81.29 145.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.428 ' C ' ' CE1' ' A' ' 49' ' ' TYR . 1.5 mtp180 -140.02 29.63 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.9 p -111.52 179.59 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -57.83 -166.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 72.97 -72.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -93.42 33.52 1.23 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 1.1 ttpt -125.92 132.77 52.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.528 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 14.2 mmt180 -131.86 122.45 25.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.91 137.75 54.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.264 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.471 HG21 HG21 ' A' ' 27' ' ' ILE . 80.5 p -81.44 168.47 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.72 144.97 56.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.618 HG21 ' OE1' ' A' ' 99' ' ' GLN . 2.0 m -80.97 115.24 20.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.969 HG11 HG21 ' A' ' 68' ' ' THR . 2.0 t -70.42 174.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.568 ' H ' HG12 ' A' ' 65' ' ' VAL . 13.7 mmtt -126.73 128.29 46.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.567 ' C ' ' O ' ' A' ' 66' ' ' LYS . 20.0 pttt 26.9 84.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.969 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -160.85 126.65 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 33' ' ' LEU . 96.3 mt -81.82 -23.51 36.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -120.22 84.1 33.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.833 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.2 Cg_endo -74.99 132.8 15.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -117.43 102.55 9.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.735 ' CE3' HG22 ' A' ' 27' ' ' ILE . 5.0 m-90 -97.4 -46.09 6.21 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER 40.11 38.04 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' ' 26' ' ' THR . 0.1 OUTLIER -85.57 -177.97 6.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.5 m -131.28 146.26 52.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.528 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 55.3 m-85 -148.14 113.43 5.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.1 mt -98.11 133.25 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.523 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.5 m-85 -125.8 111.92 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.514 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -145.92 161.08 41.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.514 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -74.97 142.43 74.74 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.029 -0.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 23' ' ' LEU . 15.7 t -134.38 104.72 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -99.27 150.66 21.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.627 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -61.97 -13.04 21.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.97 -1.95 48.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -96.55 -30.48 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.337 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 7.4 m-30 -39.2 -33.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 89' ' ' GLU . 25.4 ttp85 -67.34 127.71 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 88' ' ' ARG . 37.2 mt-10 82.95 -45.47 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -83.98 107.4 16.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.788 ' CE ' HD12 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -119.66 161.1 21.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.897 HD12 HD21 ' A' ' 117' ' ' LEU . 2.5 mt -93.47 148.04 22.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.647 ' HB2' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -134.03 100.19 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.671 ' N ' HD12 ' A' ' 94' ' ' ILE . 1.9 mp -108.63 134.7 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.626 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -138.65 145.28 40.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.869 HD13 HG22 ' A' ' 46' ' ' VAL . 27.3 tp -111.3 131.35 55.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.482 ' CE2' ' HB ' ' A' ' 95' ' ' THR . 0.1 OUTLIER -139.53 167.75 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.016 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 100' ' ' ALA . 1.8 t0 -118.55 114.82 23.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.618 ' OE1' HG21 ' A' ' 64' ' ' THR . 0.0 OUTLIER -59.15 82.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 98' ' ' ASP . . . -75.92 -88.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -72.34 159.7 33.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.2 m -72.74 -174.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 51.5 -175.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.26 83.91 4.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 179.48 174.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 54.11 82.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 p -113.67 145.33 41.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.006 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.429 ' OE2' ' C ' ' A' ' 109' ' ' PHE . 1.2 pp20? -100.49 -24.52 14.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 35.0 t80 56.15 111.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 110' ' ' LEU . 18.0 mt -82.51 -38.2 24.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.502 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 173.32 173.79 39.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.626 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.9 pt-20 -131.54 133.66 45.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.651 HD11 ' HG ' ' A' ' 131' ' ' LEU . 12.9 mt -122.67 109.75 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.788 HD12 ' CE ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -105.39 138.65 41.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.259 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.5 mp -136.72 126.77 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.471 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 37.1 mt-10 -87.25 118.74 26.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.897 HD21 HD12 ' A' ' 92' ' ' LEU . 14.8 mt -55.46 -33.0 63.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -55.62 -48.36 75.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.8 p -111.26 24.37 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.549 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -71.84 166.99 20.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.86 ' O ' HD12 ' A' ' 121' ' ' LEU . 2.3 pp -124.27 115.09 20.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.838 HD22 ' N ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -125.19 101.54 7.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -157.39 27.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.404 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 48.7 t0 55.07 44.08 28.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -120.87 121.88 28.68 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.693 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.02 124.09 8.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -123.55 144.81 49.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.565 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 93.8 m95 -99.03 104.96 17.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.019 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.604 ' OH ' HD11 ' A' ' 121' ' ' LEU . 86.4 m-85 -92.11 121.87 34.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -61.23 142.49 56.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.651 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -92.17 137.91 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -120.84 116.85 25.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.246 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 56.7 p -94.15 106.52 18.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.64 162.08 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.616 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -45.53 -53.64 8.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.85 156.8 0.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -98.26 170.21 24.48 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 164.01 34.3 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.534 1.808 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.9 m -141.39 133.98 28.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.024 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.04 161.2 18.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.046 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -143.32 -56.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.05 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.2 m 42.02 85.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.29 146.55 18.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -107.64 88.06 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.052 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 m -101.99 122.49 44.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.964 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.88 152.5 5.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.152 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.45 -131.21 2.79 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -139.95 143.81 36.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.672 HD13 ' HB2' ' A' ' 30' ' ' ALA . 46.0 tp -129.56 141.28 51.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.595 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 75.4 m -105.56 109.81 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.04 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.641 HD11 HD23 ' A' ' 10' ' ' LEU . 6.2 mt -119.22 122.88 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.601 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.3 ttmt -103.09 114.47 28.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 19.6 mt -105.04 154.77 19.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.445 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 17.4 t-105 -158.39 156.81 31.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.011 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.61 ' HB2' HD13 ' A' ' 122' ' ' LEU . 25.0 t80 -123.68 122.95 39.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -100.88 80.0 2.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -17.06 16.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.4 t -57.89 -62.88 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.86 6.07 47.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.4 m80 60.49 57.93 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.566 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.62 133.53 47.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.777 ' HB2' HG11 ' A' ' 82' ' ' VAL . 8.7 tp -85.15 122.36 29.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.504 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.6 mp -96.74 133.52 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.466 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -145.69 107.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -104.48 130.98 52.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.448 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.021 HG22 ' CE3' ' A' ' 73' ' ' TRP . 50.4 mm -93.84 92.25 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.601 HD21 ' CE ' ' A' ' 13' ' ' LYS . 9.6 mt -56.44 -100.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.555 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -161.19 158.73 30.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.672 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -96.39 173.1 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -163.96 166.41 21.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 54.37 38.07 28.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.596 HD21 ' HB1' ' A' ' 30' ' ' ALA . 18.8 mt -76.36 157.49 82.67 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.451 ' O ' ' NE ' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -75.04 110.7 3.17 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.445 1.761 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.523 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 13.5 t -106.93 -178.86 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.041 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' N ' ' OG ' ' A' ' 35' ' ' SER . 10.4 mtt-85 -130.47 140.09 50.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -46.49 -84.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -113.6 42.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 40' ' ' ARG . . . -126.19 36.76 2.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER 56.98 157.88 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.524 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -75.02 -94.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER 156.76 174.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -117.07 95.37 46.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 147.18 33.48 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.481 1.78 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.788 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -162.57 134.68 5.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.938 HG22 HD13 ' A' ' 96' ' ' LEU . 12.7 t -97.22 150.27 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -134.77 108.46 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.858 HD11 HG13 ' A' ' 27' ' ' ILE . 3.2 mt -90.9 150.84 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 59' ' ' LYS . 49.0 m-85 -155.01 98.44 2.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.713 ' CD2' HD21 ' A' ' 92' ' ' LEU . 40.1 t80 -74.66 117.36 16.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.548 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -100.84 157.23 34.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.551 ' O ' ' CB ' ' A' ' 53' ' ' ASP . 18.2 Cg_endo -75.02 131.59 24.74 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.014 0.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.5 m-20 152.59 105.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -120.28 73.64 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 t -171.53 -178.33 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -52.45 178.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.4 -76.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -25.01 59.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 1.9 tmmt? -67.62 119.27 12.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.499 ' HD2' ' CE1' ' A' ' 77' ' ' PHE . 9.4 mmt180 -123.65 115.65 21.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.43 ' HG2' ' N ' ' A' ' 62' ' ' THR . 5.5 tmm_? -125.6 138.55 53.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.491 HG21 ' HB ' ' A' ' 27' ' ' ILE . 72.4 p -81.49 162.6 23.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -57.99 144.65 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.877 HG21 ' OE1' ' A' ' 99' ' ' GLN . 3.3 m -80.73 118.27 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.381 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.51 HG21 ' HB3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -88.6 134.71 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 67' ' ' LYS . 4.8 mttp -103.95 145.14 30.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.44 ' HA ' ' HG2' ' A' ' 41' ' ' PRO . 0.0 OUTLIER 39.31 90.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 179.96 120.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.523 ' CD1' ' HB2' ' A' ' 35' ' ' SER . 19.1 mt -85.98 -16.61 37.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.52 88.76 28.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.4 Cg_endo -75.0 -179.08 4.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.73 84.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 1.021 ' CE3' HG22 ' A' ' 27' ' ' ILE . 1.1 m-90 -77.28 -29.75 53.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.3 OUTLIER 35.22 36.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.695 ' O ' HG23 ' A' ' 26' ' ' THR . 3.6 mm-40 -83.86 177.14 8.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 m -128.93 140.66 51.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.499 ' CE1' ' HD2' ' A' ' 60' ' ' ARG . 27.4 m-85 -140.63 113.41 8.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.8 mt -96.94 144.94 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.485 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 12.3 m-85 -135.83 111.37 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.515 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.38 161.27 39.38 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.515 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.01 141.03 70.55 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.045 -0.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 23' ' ' LEU . 24.3 t -135.87 114.1 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -97.16 161.97 13.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.618 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -71.75 -40.79 69.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -6.49 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.24 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' OE1' ' NE ' ' A' ' 90' ' ' ARG . 1.8 mm-40 -92.52 -16.0 26.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -56.31 -33.59 65.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -89.83 4.98 48.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -105.07 -26.22 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 90' ' ' ARG . 0.5 OUTLIER -138.41 174.76 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.705 ' CE ' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -151.69 155.6 38.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.713 HD21 ' CD2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -92.29 154.3 18.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.649 ' HG3' HD11 ' A' ' 114' ' ' LEU . 19.4 tt0 -141.24 96.09 2.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.404 HD12 ' H ' ' A' ' 94' ' ' ILE . 4.5 mp -90.73 150.15 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.711 HG22 ' HB2' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -140.94 144.19 35.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.938 HD13 HG22 ' A' ' 46' ' ' VAL . 52.4 tp -131.26 137.3 48.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 0.0 OUTLIER -152.6 179.47 8.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 108.023 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 100' ' ' ALA . 1.4 t0 -120.88 117.15 26.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.877 ' OE1' HG21 ' A' ' 64' ' ' THR . 2.1 tt0 -55.16 87.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 98' ' ' ASP . . . -81.98 -85.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -89.79 -163.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.27 165.55 25.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.05 24.77 14.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 47.79 96.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -139.27 -47.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.88 126.0 43.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 p -136.91 132.9 35.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.458 ' CD ' HD21 ' A' ' 110' ' ' LEU . 7.0 pt-20 -90.04 -10.54 44.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.462 ' CD1' ' CZ3' ' A' ' 97' ' ' TRP . 35.4 t80 33.88 84.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.458 HD21 ' CD ' ' A' ' 108' ' ' GLU . 52.1 mt -55.12 -25.53 32.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.42 ' O ' HD22 ' A' ' 131' ' ' LEU . . . 138.41 155.19 6.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.711 ' HB2' HG22 ' A' ' 95' ' ' THR . 1.0 OUTLIER -108.49 145.53 34.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.335 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.693 HG13 HD23 ' A' ' 131' ' ' LEU . 92.5 mt -115.99 101.45 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.705 HD23 ' CE ' ' A' ' 91' ' ' MET . 1.1 mp -92.81 147.07 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.535 HD11 HG22 ' A' ' 113' ' ' ILE . 2.0 mp -142.47 134.86 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.497 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 6.1 mt-10 -95.93 106.13 18.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.42 ' HA ' ' CB ' ' A' ' 120' ' ' ALA . 12.5 mt -41.42 -32.32 0.31 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -58.35 -54.04 51.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 33.6 p -102.02 22.51 12.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.451 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -75.36 132.44 40.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.57 88.04 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.61 HD13 ' HB2' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -89.33 121.69 31.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' ASP . 3.0 t0 -173.0 34.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' ASP . 25.5 t70 39.33 35.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.485 ' O ' ' CD2' ' A' ' 127' ' ' HIS . 6.8 mt-10 -109.96 128.89 24.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.487 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.04 122.89 7.47 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 73.8 m-70 -125.74 134.98 51.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.619 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.595 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 97.3 m95 -85.94 105.16 16.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 108.011 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 127' ' ' HIS . 33.2 m-85 -95.55 128.31 42.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.01 139.04 42.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.693 HD23 HG13 ' A' ' 113' ' ' ILE . 1.1 mt -85.41 156.32 20.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -127.41 143.48 51.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 72.3 p -126.59 75.76 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -166.52 102.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.629 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -162.82 124.67 2.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.6 t -120.7 149.93 41.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -159.02 170.89 35.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 62.4 5.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.798 . . . . 0.0 110.982 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.49 -59.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 t 75.01 -58.69 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -115.5 158.08 23.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.785 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -158.38 80.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.044 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.82 112.18 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -122.1 154.49 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.969 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 m -167.09 140.03 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.537 ' N ' HG21 ' A' ' 133' ' ' THR . . . -110.72 148.24 17.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -119.33 -116.07 2.6 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -137.76 132.41 32.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.565 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -117.52 137.99 52.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.454 ' H ' HD23 ' A' ' 10' ' ' LEU . 16.1 m -103.79 115.17 29.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.565 HD11 HD13 ' A' ' 10' ' ' LEU . 6.0 mt -125.45 128.78 72.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.599 ' CE ' HD21 ' A' ' 28' ' ' LEU . 3.3 ttmt -108.15 123.5 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.643 ' CB ' HD23 ' A' ' 122' ' ' LEU . 13.4 mt -115.18 153.65 30.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -158.14 145.32 17.99 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.779 ' HB2' HD13 ' A' ' 122' ' ' LEU . 22.3 t80 -106.42 133.15 51.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 21' ' ' HIS . 2.4 m-20 -113.36 84.08 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -18.85 42.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.8 t -52.84 -64.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.2 5.44 33.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' ASP . 15.5 m170 61.9 61.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.657 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.48 150.23 50.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.498 ' HB2' HG11 ' A' ' 82' ' ' VAL . 9.9 tp -99.09 116.89 32.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 24' ' ' ILE . 1.7 mp -89.51 101.6 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.58 HG13 ' CD2' ' A' ' 14' ' ' LEU . 28.9 t -107.35 112.3 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.99 119.21 38.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.823 HG22 ' CE3' ' A' ' 73' ' ' TRP . 49.2 mm -88.6 91.58 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.632 HD11 ' HB3' ' A' ' 126' ' ' PRO . 16.9 mt -54.68 -98.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.558 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -157.88 171.19 34.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.36 155.14 25.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.566 ' CG ' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -144.05 165.46 27.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.416 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 72.0 m-20 55.26 54.59 8.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.49 HD22 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -96.13 159.63 31.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.552 ' HG2' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -74.98 123.33 7.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.541 1.811 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.423 ' HB3' HD11 ' A' ' 69' ' ' LEU . 14.9 p -120.48 -163.63 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.937 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.96 124.33 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.33 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -39.33 -85.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.91 47.2 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.85 -120.91 2.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -146.53 159.92 43.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.459 ' HG2' ' CG ' ' A' ' 67' ' ' LYS . 18.3 Cg_endo -75.04 -160.8 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.546 1.813 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.72 ' NH1' HD21 ' A' ' 110' ' ' LEU . 1.1 ptp180 -145.83 -174.37 4.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -115.55 88.66 20.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.86 43.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.567 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 2.0 p90 -170.53 124.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 1.025 HG22 HD13 ' A' ' 96' ' ' LEU . 44.5 t -78.04 163.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.456 ' N ' HG12 ' A' ' 46' ' ' VAL . 6.3 ttpt -149.23 116.66 6.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.777 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.4 mt -91.23 147.93 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -150.44 107.44 3.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -83.17 127.56 33.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.551 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 1.2 mm? -105.68 154.87 38.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.551 ' HA ' ' HB3' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.0 133.46 31.53 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 120.96 -2.517 . . . . 0.0 110.99 -0.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.9 m-20 152.0 111.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -131.56 32.53 4.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.47 -80.01 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.994 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.628 ' HA ' ' CG ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -151.66 175.16 12.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt 75.06 30.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.508 ' ND2' ' HB3' ' A' ' 53' ' ' ASP . 0.4 OUTLIER 167.2 36.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.628 ' CG ' ' HA ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -130.04 53.27 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.529 ' HD2' ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -81.25 118.52 22.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 160.37 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.435 HG21 ' HB ' ' A' ' 27' ' ' ILE . 75.6 p -80.64 169.57 17.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.53 148.39 33.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.9 m -80.72 111.19 16.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.687 HG11 HG21 ' A' ' 68' ' ' THR . 1.0 OUTLIER -80.31 145.69 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -112.58 132.59 55.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 41' ' ' PRO . 14.2 mtmm 43.47 91.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.687 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.36 112.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.424 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.49 ' O ' HD22 ' A' ' 33' ' ' LEU . 4.2 mm? -75.6 -19.28 59.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -126.96 86.06 59.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.479 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.99 145.43 31.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -131.55 96.35 3.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.823 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.0 m-90 -89.69 -43.88 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 107.981 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 41.31 35.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -86.4 -175.03 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -136.43 143.56 43.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.436 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.529 ' CE1' ' HD2' ' A' ' 60' ' ' ARG . 29.0 m-85 -138.87 113.34 8.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.4 mt -94.83 129.48 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.513 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 40.2 m-85 -124.48 111.79 16.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.544 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -145.39 162.53 36.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.04 141.8 72.82 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.977 0.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 17.3 t -134.5 108.0 10.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -96.81 166.82 11.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.577 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.463 ' HD2' ' CE2' ' A' ' 87' ' ' PHE . 1.5 tpt180 -79.62 -21.37 44.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.47 -8.61 59.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -93.59 -28.03 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 7.0 m-30 -40.44 -54.71 2.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.6 ttt85 -45.47 -53.63 8.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.44 44.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.432 ' C ' HD13 ' A' ' 117' ' ' LEU . 11.4 mtt180 -158.48 142.79 15.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.574 ' HA ' ' CD1' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -152.9 136.78 16.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.458 HD11 HD23 ' A' ' 23' ' ' LEU . 17.8 mt -92.35 137.53 32.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 9.5 tt0 -121.2 100.24 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.666 ' H ' HD12 ' A' ' 94' ' ' ILE . 1.8 mp -99.66 137.57 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.623 HG22 ' CB ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -138.58 145.96 41.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.364 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 1.025 HD13 HG22 ' A' ' 46' ' ' VAL . 21.3 tp -115.76 131.18 57.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.556 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 0.0 OUTLIER -140.58 175.06 9.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 108.045 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.83 97.19 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -39.67 110.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -107.69 -85.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.79 151.9 39.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.3 m -89.7 -173.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.65 30.55 19.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.241 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 46.23 86.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -171.4 159.03 5.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 52.43 101.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 110.321 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.72 137.84 51.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.964 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 109' ' ' PHE . 2.1 tt0 -88.78 -33.61 17.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.493 ' HB2' ' CE3' ' A' ' 97' ' ' TRP . 73.8 t80 57.57 116.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.72 HD21 ' NH1' ' A' ' 42' ' ' ARG . 34.3 mt -92.24 -31.4 15.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 170.22 179.54 41.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.623 ' CB ' HG22 ' A' ' 95' ' ' THR . 4.0 pt-20 -139.56 144.18 37.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.288 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.614 HD11 ' HG ' ' A' ' 131' ' ' LEU . 18.3 mt -126.66 106.51 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.551 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 0.1 OUTLIER -94.12 132.66 38.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.4 mt -138.36 149.67 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 120' ' ' ALA . 8.2 mt-10 -114.86 141.36 48.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.707 ' N ' HD12 ' A' ' 117' ' ' LEU . 1.5 mp -80.28 -12.52 59.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -68.03 -31.98 72.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 82.4 p -125.81 -1.34 7.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 116' ' ' GLU . . . -43.01 135.09 3.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.04 87.05 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.779 HD13 ' HB2' ' A' ' 16' ' ' PHE . 4.3 mt -88.69 114.41 25.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -169.92 35.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.2 t0 40.91 35.77 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 127' ' ' HIS . 39.2 mt-10 -106.64 120.37 48.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.632 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.93 123.14 7.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 125' ' ' GLU . 53.9 m-70 -125.81 141.76 51.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.608 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.566 ' CZ3' ' CG ' ' A' ' 31' ' ' LYS . 80.6 m95 -86.95 105.35 17.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 107.996 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -90.43 125.21 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -72.06 144.31 48.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.614 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.1 mt -99.66 142.31 31.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -113.35 122.03 46.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.537 HG21 ' N ' ' A' ' 7' ' ' GLY . 40.2 p -109.66 90.67 3.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.78 174.71 9.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.593 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.21 -57.05 11.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.6 t 41.02 87.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.88 167.89 20.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 179.39 6.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.93 121.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.025 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 24.9 t -150.11 137.33 19.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -141.99 146.4 35.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.848 HD13 ' HB2' ' A' ' 30' ' ' ALA . 45.5 tp -130.0 140.48 50.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.453 ' HB2' ' CH2' ' A' ' 128' ' ' TRP . 2.0 t -103.46 119.09 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mt -128.05 128.36 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.738 ' CE ' HD21 ' A' ' 28' ' ' LEU . 8.0 ttmt -100.89 114.21 27.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.472 ' HB3' HD23 ' A' ' 122' ' ' LEU . 74.8 mt -106.31 151.37 24.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.517 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 41.9 t-105 -158.61 153.65 25.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 107.985 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.449 ' CD1' ' CZ ' ' A' ' 87' ' ' PHE . 31.9 t80 -125.18 110.82 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.76 86.36 7.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -20.25 65.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 88.8 t -55.14 -72.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.79 4.05 81.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 31.4 m170 62.67 59.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.595 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.62 142.48 50.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.832 HD21 HD11 ' A' ' 92' ' ' LEU . 4.7 tp -94.21 121.29 35.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.523 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.5 mp -98.6 143.02 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.636 HG13 ' HB2' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -158.45 101.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.748 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -96.39 125.75 41.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.402 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.98 HG22 ' CE3' ' A' ' 73' ' ' TRP . 47.1 mm -88.36 91.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.738 HD21 ' CE ' ' A' ' 13' ' ' LYS . 13.6 mt -55.41 -99.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.589 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.88 166.88 35.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.848 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -104.91 164.77 11.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.562 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.32 167.65 29.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 51.22 44.56 28.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.621 HD21 ' HB1' ' A' ' 30' ' ' ALA . 19.0 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' NH1' ' CD2' ' A' ' 110' ' ' LEU . 4.8 ptp180 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -114.34 92.17 26.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 149.84 37.54 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.597 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.2 p90 -162.55 133.43 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.705 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 3.5 t -88.15 162.56 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -149.62 108.06 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.868 HD11 HG13 ' A' ' 27' ' ' ILE . 3.3 mt -91.44 152.6 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.435 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -153.54 98.18 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.463 ' HE1' HD11 ' A' ' 117' ' ' LEU . 55.3 t80 -70.78 98.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 27.8 mmt180 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -135.84 152.47 51.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.5 p -99.26 164.8 11.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 110.398 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -61.95 143.38 56.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 m -80.35 112.62 17.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.723 HG11 HG21 ' A' ' 68' ' ' THR . 1.3 t -79.23 142.8 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -109.31 135.86 49.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.1 mttt 41.05 89.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.723 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.08 111.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.427 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.0 mt -76.25 -17.49 59.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 6.3 mt-10 -128.45 85.94 59.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.4 Cg_endo -74.97 159.98 40.79 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.808 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -145.56 93.08 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.98 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.9 m-90 -87.87 -42.69 12.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 107.987 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.5 OUTLIER 38.47 36.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.748 ' O ' HG23 ' A' ' 26' ' ' THR . 2.9 mm-40 -83.02 -174.87 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.549 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 16.0 m -132.43 143.72 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.636 ' HB2' HG13 ' A' ' 25' ' ' VAL . 23.9 m-85 -143.93 117.15 8.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.9 mt -107.61 131.06 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.52 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 8.8 m-85 -122.14 112.26 17.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.496 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.27 160.69 41.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.496 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.1 Cg_endo -75.02 141.25 71.18 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.975 0.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.818 HG11 ' HB2' ' A' ' 23' ' ' LEU . 16.0 t -134.1 120.81 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.46 ' CD2' ' N ' ' A' ' 83' ' ' HIS . 2.5 m170 -102.0 160.89 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.625 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 49.4 tpt85 -68.85 -35.33 76.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -20.36 59.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.092 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.4 mm-40 -71.65 -33.47 68.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.522 ' CG ' ' HB3' ' A' ' 117' ' ' LEU . 6.2 m-30 -43.05 -34.78 1.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -62.74 -43.82 97.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 86' ' ' GLU . 33.1 mt-10 -98.56 6.92 46.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -129.84 117.69 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.476 ' HE2' HD13 ' A' ' 114' ' ' LEU . 2.8 ttt -129.07 145.99 51.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.832 HD11 HD21 ' A' ' 23' ' ' LEU . 8.9 mt -92.8 151.95 19.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.508 ' HG3' HD21 ' A' ' 114' ' ' LEU . 14.6 tt0 -140.34 98.91 3.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.696 ' N ' HD12 ' A' ' 94' ' ' ILE . 1.6 mp -100.76 144.85 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.523 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -146.19 136.66 23.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.546 HD13 HG22 ' A' ' 46' ' ' VAL . 20.8 tp -104.87 129.79 53.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.582 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -134.8 -178.22 4.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.045 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 3.1 t0 -132.52 125.85 31.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 111' ' ' GLY . 48.5 t80 . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.509 0.195 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.413 ' CD2' ' NH1' ' A' ' 42' ' ' ARG . 68.8 mt -88.69 -27.42 21.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.434 ' O ' ' CE1' ' A' ' 109' ' ' PHE . . . 166.65 -178.89 40.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.523 ' CB ' HG22 ' A' ' 95' ' ' THR . 1.7 pt-20 -138.38 137.89 37.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.458 HD11 ' HG ' ' A' ' 131' ' ' LEU . 25.3 mt -123.77 110.96 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.508 HD21 ' HG3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -104.22 132.51 50.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.559 HD12 HD13 ' A' ' 94' ' ' ILE . 4.2 mt -136.39 124.63 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 120' ' ' ALA . 18.1 mt-10 -92.19 115.29 27.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.57 HD21 HD12 ' A' ' 92' ' ' LEU . 26.3 mt -49.5 -30.35 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -56.43 -51.84 66.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.0 p -111.25 25.87 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 110.413 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.458 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -76.99 116.37 17.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.505 ' O ' HD13 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -70.95 90.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.4 mt -96.64 116.97 30.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.98 23.73 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.517 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 27.2 t70 47.97 45.8 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.71 150.59 76.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.96 124.5 8.69 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.564 1.823 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 129' ' ' TYR . 0.1 OUTLIER -126.0 135.15 51.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.596 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 96.7 m95 -95.69 113.76 25.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 127' ' ' HIS . 75.2 m-85 -105.34 111.82 24.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.94 147.98 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.458 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -93.06 142.1 27.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -137.32 147.72 45.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.654 HD13 ' HB2' ' A' ' 30' ' ' ALA . 23.6 tp -128.53 142.47 51.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 m -103.24 115.88 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.22 123.08 61.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.645 ' CE ' HD21 ' A' ' 28' ' ' LEU . 7.0 ttmt -99.79 115.22 29.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.632 ' HB3' HD23 ' A' ' 122' ' ' LEU . 63.7 mt -108.42 148.78 29.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.434 ' CE3' ' HB3' ' A' ' 124' ' ' ASP . 37.0 t-105 -158.0 144.51 17.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 107.994 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.503 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 49.1 t80 -111.39 120.55 42.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -95.78 98.25 10.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -21.25 61.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.3 t -51.66 -71.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.27 3.9 58.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.9 m170 64.45 59.78 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.757 . . . . 0.0 109.6 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.1 150.74 49.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.596 ' HB2' HG11 ' A' ' 82' ' ' VAL . 13.0 tp -100.41 119.54 38.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.54 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp -93.02 109.51 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.42 HG22 ' CD2' ' A' ' 14' ' ' LEU . 65.0 t -115.87 113.2 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -114.51 121.86 44.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.379 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.975 HG22 ' CE3' ' A' ' 73' ' ' TRP . 51.1 mm -91.32 93.16 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.645 HD21 ' CE ' ' A' ' 13' ' ' LYS . 11.6 mt -58.1 -98.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.57 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.93 166.26 35.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.654 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -96.79 173.83 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.597 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.23 142.92 18.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 59.37 68.81 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 2.2 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -116.31 86.24 17.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 149.33 36.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.443 1.759 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 2.7 p90 -161.33 135.25 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.714 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 8.4 t -90.27 159.34 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.628 ' CD ' ' CE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -149.31 110.87 4.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.672 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.6 mt -91.83 154.59 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.628 ' CE2' ' CD ' ' A' ' 47' ' ' LYS . 1.1 m-85 -154.68 98.68 2.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.477 ' CE2' ' HG2' ' A' ' 90' ' ' ARG . 26.4 t80 -68.3 96.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 49' ' ' TYR . 4.4 mp . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.548 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 25.9 mmt180 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 62' ' ' THR . 17.4 ttm180 -131.77 138.68 48.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.423 HG21 ' HB ' ' A' ' 27' ' ' ILE . 69.8 p -81.45 165.2 21.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.58 144.22 48.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.4 m -80.65 112.37 17.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.359 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.775 HG11 HG21 ' A' ' 68' ' ' THR . 1.4 t -79.55 144.88 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -116.93 129.41 56.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt 50.78 87.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.775 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -177.69 113.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.42 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 54.2 mt -74.93 -19.46 60.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.44 ' HG3' ' HA ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -129.41 88.67 49.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -74.98 147.73 34.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -133.07 94.73 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.975 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.9 m-90 -88.38 -42.67 12.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 108.058 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER 38.31 37.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 26' ' ' THR . 2.4 mm100 -88.31 179.81 6.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.258 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -131.91 149.16 52.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.548 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 31.8 m-85 -146.44 113.6 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.7 mt -96.54 125.12 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.524 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.1 m-85 -119.18 112.55 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.521 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.35 161.4 38.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.521 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.0 141.51 71.98 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.994 0.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.596 HG11 ' HB2' ' A' ' 23' ' ' LEU . 9.6 t -131.9 110.68 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.487 ' CD2' ' N ' ' A' ' 83' ' ' HIS . 2.5 m170 -90.72 163.03 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.627 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.503 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 9.6 tpt180 -74.37 -30.5 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -16.78 39.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.0 OUTLIER -77.6 -8.84 58.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.465 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 5.4 m-30 -60.3 -55.34 34.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -61.51 -14.73 31.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -102.23 -15.94 16.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.477 ' HG2' ' CE2' ' A' ' 50' ' ' PHE . 2.8 mpt_? -134.16 118.28 17.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.484 ' HE2' HD13 ' A' ' 114' ' ' LEU . 3.2 ttt -115.66 147.89 40.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.576 HD12 HD21 ' A' ' 117' ' ' LEU . 10.5 mt -92.44 152.18 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.461 ' HG3' HD21 ' A' ' 114' ' ' LEU . 13.1 tt0 -145.0 93.13 2.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 94' ' ' ILE . 2.8 mp -92.13 147.63 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.508 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -147.25 137.2 23.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.582 HD13 HG22 ' A' ' 46' ' ' VAL . 23.0 tp -103.84 132.83 49.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.579 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -139.54 170.6 15.62 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -121.7 120.07 33.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.569 ' CE1' ' O ' ' A' ' 111' ' ' GLY . 66.5 t80 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.498 0.19 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 68.5 mt -76.17 -31.66 58.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.569 ' O ' ' CE1' ' A' ' 109' ' ' PHE . . . 170.04 -167.87 40.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.508 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.7 pt-20 -145.45 144.34 30.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.52 HG13 HD23 ' A' ' 131' ' ' LEU . 80.4 mt -128.72 108.76 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.484 HD13 ' HE2' ' A' ' 91' ' ' MET . 0.1 OUTLIER -102.24 131.05 49.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.248 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.452 HD12 HD13 ' A' ' 94' ' ' ILE . 3.9 mt -136.94 123.95 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -91.17 108.89 20.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.576 HD21 HD12 ' A' ' 92' ' ' LEU . 11.9 mt -43.27 -33.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -54.18 -51.64 63.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.3 p -110.3 29.19 7.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -83.35 113.07 20.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.512 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -67.84 93.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.632 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.2 mt -97.27 117.93 32.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.401 ' CB ' ' OE2' ' A' ' 125' ' ' GLU . 0.2 OUTLIER -158.17 26.0 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.434 ' HB3' ' CE3' ' A' ' 15' ' ' TRP . 5.7 p-10 44.93 51.65 8.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 125' ' ' GLU . 0.2 OUTLIER -133.61 146.51 60.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.288 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.487 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 122.07 6.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 129' ' ' TYR . 0.4 OUTLIER -121.24 142.64 49.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.597 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 80.2 m95 -97.68 105.83 18.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 107.998 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 127' ' ' HIS . 47.6 m-85 -98.83 122.35 41.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -68.95 141.23 55.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.52 HD23 HG13 ' A' ' 113' ' ' ILE . 1.6 mt -82.91 148.94 27.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -141.95 140.51 32.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.497 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -124.33 143.85 50.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.596 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 33.3 m -112.24 114.84 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.497 HD11 HD13 ' A' ' 10' ' ' LEU . 4.5 mt -125.63 128.23 72.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.665 ' CE ' HD21 ' A' ' 28' ' ' LEU . 4.3 ttmt -104.98 114.83 29.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.464 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 16.0 mt -108.08 153.29 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -158.28 152.2 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 108.027 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.632 ' HB2' HD13 ' A' ' 122' ' ' LEU . 32.1 t80 -121.03 119.88 33.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -95.45 91.16 6.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -19.98 66.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.1 t -54.92 -71.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.65 3.45 61.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 63.89 55.08 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.605 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.51 ' HB3' HG23 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -119.62 135.11 54.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.731 ' HB2' HG11 ' A' ' 82' ' ' VAL . 23.8 tp -89.4 119.15 29.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp -95.46 145.85 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' A' ' 77' ' ' PHE . 0.8 OUTLIER -160.51 97.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -95.71 126.22 40.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.422 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.765 HG22 ' CE3' ' A' ' 73' ' ' TRP . 40.1 mm -87.95 93.55 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.665 HD21 ' CE ' ' A' ' 13' ' ' LYS . 15.6 mt -56.35 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.583 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -159.63 170.43 35.85 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 70' ' ' GLU . . . -111.59 162.09 15.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.585 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -144.73 157.38 44.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.03 73.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.962 HD22 ' O ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.568 ' NH1' HD21 ' A' ' 110' ' ' LEU . 3.7 ptp180 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 2.3 m-20 -112.35 94.94 29.01 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.17 31.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.464 1.771 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.4 p90 -177.5 124.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.741 HG22 HD13 ' A' ' 96' ' ' LEU . 7.9 t -83.93 158.55 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.539 ' CD ' ' CE2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -148.84 108.27 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.656 HD11 HG13 ' A' ' 27' ' ' ILE . 2.2 mt -92.0 159.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.539 ' CE2' ' CD ' ' A' ' 47' ' ' LYS . 1.5 m-85 -154.34 98.77 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.559 ' CZ ' ' HD2' ' A' ' 90' ' ' ARG . 47.7 t80 -68.56 89.67 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -131.6 135.79 47.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.338 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.441 HG21 HG21 ' A' ' 27' ' ' ILE . 77.2 p -84.47 163.0 19.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -59.46 143.23 50.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -80.26 109.76 15.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.721 HG11 HG21 ' A' ' 68' ' ' THR . 1.1 t -79.75 141.61 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HD3' ' ND2' ' A' ' 43' ' ' ASN . 5.0 mmtp -113.4 134.4 54.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? 47.66 85.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.26 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.721 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.78 114.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.962 ' O ' HD22 ' A' ' 33' ' ' LEU . 30.0 mt -78.87 -17.82 54.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 3.5 mt-10 -126.43 83.59 64.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.6 Cg_endo -74.96 146.21 32.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.431 1.753 . . . . 0.0 111.005 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -130.75 98.71 4.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.765 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.6 m-90 -91.91 -44.82 8.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 108.002 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.7 OUTLIER 40.27 37.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.849 ' O ' HG23 ' A' ' 26' ' ' THR . 2.5 mm100 -84.81 -177.67 6.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.443 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 2.2 m -130.9 146.75 52.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' HB2' HG13 ' A' ' 25' ' ' VAL . 30.4 m-85 -148.55 121.41 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.51 HG23 ' HB3' ' A' ' 22' ' ' GLN . 5.8 mt -108.94 144.48 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.529 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.1 m-85 -135.71 109.01 7.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.491 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.32 160.57 41.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.964 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -74.97 142.02 73.51 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.059 -0.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.731 HG11 ' HB2' ' A' ' 23' ' ' LEU . 14.0 t -133.76 112.31 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -88.85 170.04 11.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.624 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.545 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 8.4 tpt180 -80.55 -32.49 36.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -11.18 59.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.17 -5.35 57.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 90' ' ' ARG . 4.6 m-30 -63.77 -51.4 65.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -66.25 -15.11 62.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -99.16 -19.91 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.559 ' HD2' ' CZ ' ' A' ' 50' ' ' PHE . 22.7 mtt85 -128.13 120.96 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.561 ' HE3' ' HG2' ' A' ' 116' ' ' GLU . 3.1 ttt -119.09 149.96 40.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.516 HD11 HD21 ' A' ' 23' ' ' LEU . 10.5 mt -92.3 153.52 19.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.569 ' HG3' HD21 ' A' ' 114' ' ' LEU . 10.6 tt0 -141.21 96.44 2.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.575 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.2 mp -96.58 140.57 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.583 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.6 OUTLIER -143.5 142.29 31.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.741 HD13 HG22 ' A' ' 46' ' ' VAL . 21.1 tp -111.78 142.33 44.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.581 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -145.94 -167.27 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 108.012 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -145.24 119.1 9.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.527 ' CZ ' ' C ' ' A' ' 111' ' ' GLY . 75.5 t80 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.477 0.18 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.568 HD21 ' NH1' ' A' ' 42' ' ' ARG . 84.0 mt -94.45 -38.4 10.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.527 ' C ' ' CZ ' ' A' ' 109' ' ' PHE . . . 175.56 -177.93 47.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.583 ' CB ' HG22 ' A' ' 95' ' ' THR . 1.5 pt-20 -144.67 131.4 20.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.486 HD11 ' HG ' ' A' ' 131' ' ' LEU . 34.6 mt -117.01 102.66 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.569 HD21 ' HG3' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -95.98 132.19 41.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.484 HD12 HD13 ' A' ' 94' ' ' ILE . 3.8 mt -137.51 136.1 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.561 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 3.4 mt-10 -103.86 123.38 47.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.514 HD13 HD22 ' A' ' 23' ' ' LEU . 11.9 mt -51.18 -29.17 13.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -50.82 -52.29 42.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.9 p -120.2 31.53 6.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.45 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -72.31 140.6 48.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.98 89.24 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 16' ' ' PHE . 5.5 mt -104.05 107.26 18.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 124' ' ' ASP . 2.0 t0 -173.18 34.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 123' ' ' ASP . 19.6 t0 39.12 48.39 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 4.7 mt-10 -126.95 129.15 24.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 110.233 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.588 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 123.13 7.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -126.13 132.64 51.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.596 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 90.0 m95 -81.81 105.69 13.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 107.978 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -92.02 132.45 36.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -71.85 141.71 49.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.486 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -90.59 140.21 29.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -129.12 138.65 51.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.552 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -117.14 138.72 51.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.58 ' OG ' ' CH2' ' A' ' 128' ' ' TRP . 31.1 m -101.28 113.09 25.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.552 HD11 HD13 ' A' ' 10' ' ' LEU . 7.1 mt -126.14 124.52 66.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.629 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.6 ttmt -104.39 116.46 32.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.691 ' CD2' HG22 ' A' ' 25' ' ' VAL . 21.4 mt -109.72 153.6 24.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 19.1 t-105 -158.45 154.7 27.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.004 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.551 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 37.8 t80 -119.99 120.89 37.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.16 86.79 3.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -18.71 58.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.097 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.0 t -55.15 -69.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.66 4.93 61.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.0 m80 59.61 60.15 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.628 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.506 ' CB ' HG23 ' A' ' 78' ' ' ILE . 1.2 mt-30 -129.92 153.84 47.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HB2' HG11 ' A' ' 82' ' ' VAL . 11.7 tp -101.89 115.89 31.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.513 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.6 mp -89.84 101.63 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.691 HG22 ' CD2' ' A' ' 14' ' ' LEU . 39.7 t -107.77 106.14 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -103.09 123.3 46.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.374 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.879 HG22 ' CE3' ' A' ' 73' ' ' TRP . 42.4 mm -94.4 91.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.629 HD21 ' CE ' ' A' ' 13' ' ' LYS . 15.0 mt -55.15 -100.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.579 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -159.73 165.91 34.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.49 155.75 18.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.556 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -145.12 165.49 28.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 52.29 54.26 11.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 42' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 98' ' ' ASP . 70.0 m-20 -120.34 78.86 27.56 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.437 ' HG2' ' HG3' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -74.98 153.1 41.63 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.619 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 1.5 p90 -175.68 120.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.584 HG22 HD13 ' A' ' 96' ' ' LEU . 3.1 t -79.67 157.91 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 61' ' ' ARG . 2.9 ttmm -146.2 111.74 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.802 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.3 mt -90.62 134.24 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.403 ' CD2' ' HD2' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -138.07 98.13 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.441 ' CZ ' HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -73.72 125.5 28.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.411 ' HB3' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -123.17 162.3 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.544 HG21 ' CG2' ' A' ' 27' ' ' ILE . 45.3 p -82.87 164.3 20.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -59.31 146.48 39.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -81.02 115.14 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.437 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -91.47 135.58 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -113.68 136.03 53.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt 59.87 73.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 68' ' ' THR . 0.8 OUTLIER -176.8 114.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.559 ' O ' HD22 ' A' ' 33' ' ' LEU . 39.1 mt -81.39 -18.69 44.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.45 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.6 mt-10 -127.28 84.48 63.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.543 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.96 160.52 40.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -141.96 90.91 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.879 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.4 m-90 -84.58 -40.43 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 107.94 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.3 OUTLIER 36.97 34.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' TRP . 1.9 mm100 -86.82 -179.53 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 m -132.9 148.19 52.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -140.52 113.05 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.506 HG23 ' CB ' ' A' ' 22' ' ' GLN . 58.8 mt -95.35 111.92 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.468 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.4 OUTLIER -107.6 112.84 25.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.547 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -145.53 162.72 35.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.547 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.01 142.06 73.62 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.003 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.555 HG11 ' HB2' ' A' ' 23' ' ' LEU . 24.3 t -136.81 105.29 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -91.03 165.19 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.562 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.551 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 9.6 tpt180 -78.8 -22.5 46.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.36 -1.42 55.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -102.01 -11.57 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.461 ' CE2' ' HD2' ' A' ' 84' ' ' ARG . 4.4 m-30 -60.39 -39.44 87.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -84.54 4.56 31.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.46 ' O ' ' NE ' ' A' ' 90' ' ' ARG . 32.8 mt-10 -124.35 4.61 8.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 0.3 OUTLIER -151.66 154.49 36.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 2.2 ttt -143.51 148.95 36.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.549 HD12 HD21 ' A' ' 117' ' ' LEU . 6.4 mt -93.01 148.63 21.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.418 ' HG3' HD21 ' A' ' 114' ' ' LEU . 12.2 tt0 -133.61 98.55 4.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.704 ' N ' HD12 ' A' ' 94' ' ' ILE . 2.2 mp -101.82 146.09 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.571 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -144.61 152.63 40.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.584 HD13 HG22 ' A' ' 46' ' ' VAL . 31.2 tp -116.25 130.74 56.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.567 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -133.96 169.36 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.01 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' ASN . 2.0 t0 -124.02 102.16 7.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 97' ' ' TRP . 13.2 t80 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.514 0.197 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.0 mt -94.07 -57.43 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -159.36 176.57 36.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.571 ' CB ' HG22 ' A' ' 95' ' ' THR . 0.4 OUTLIER -135.71 144.78 46.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.564 HD11 ' HG ' ' A' ' 131' ' ' LEU . 17.0 mt -129.54 112.01 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.465 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -103.04 131.64 49.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.3 mt -136.62 125.06 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 120' ' ' ALA . 18.4 mt-10 -88.26 123.17 32.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.549 HD21 HD12 ' A' ' 92' ' ' LEU . 15.0 mt -53.0 -31.15 39.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.4 -50.79 71.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.3 p -102.68 22.24 14.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.449 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -74.11 102.5 4.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.472 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -64.78 87.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.2 mt -90.93 120.59 32.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -157.97 26.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.562 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 53.0 t0 41.32 39.66 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.64 149.34 64.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.485 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 124.32 8.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -126.1 131.17 52.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.608 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.58 ' CH2' ' OG ' ' A' ' 11' ' ' SER . 96.8 m95 -88.02 117.45 26.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 107.984 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.438 ' OH ' HD11 ' A' ' 121' ' ' LEU . 66.9 m-85 -107.45 115.25 29.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -58.05 142.23 47.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.564 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.9 OUTLIER -93.35 146.87 23.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.245 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -147.37 128.75 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.588 ' HB2' HD11 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -117.98 141.69 48.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.473 ' H ' HD23 ' A' ' 10' ' ' LEU . 66.1 m -105.42 111.17 23.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.483 HD11 HD13 ' A' ' 10' ' ' LEU . 5.2 mt -123.69 122.1 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.504 ' HE2' HD21 ' A' ' 28' ' ' LEU . 3.3 ttmt -103.96 114.83 29.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.629 ' CB ' HD23 ' A' ' 122' ' ' LEU . 12.2 mt -107.2 155.07 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.442 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 10.6 t-105 -157.29 147.4 20.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.408 ' HE1' HG12 ' A' ' 82' ' ' VAL . 46.8 t80 -117.26 128.09 54.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -106.04 91.69 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -20.35 66.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.0 t -50.53 -68.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.54 8.11 47.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.9 m80 60.62 53.31 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.573 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.412 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -121.74 118.9 30.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.919 ' HB2' HG11 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -76.52 126.89 31.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.863 ' N ' HD22 ' A' ' 23' ' ' LEU . 1.7 mp -99.21 131.18 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.787 HG23 ' CD1' ' A' ' 23' ' ' LEU . 48.2 t -130.58 119.96 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.34 129.1 54.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.394 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.948 HG13 HD11 ' A' ' 48' ' ' ILE . 48.1 mm -101.51 88.43 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 126' ' ' PRO . 12.1 mt -52.1 -99.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.566 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.59 171.55 35.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.27 155.64 21.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.561 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -143.83 161.63 38.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 58.75 59.89 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.557 ' HG ' HD13 ' A' ' 110' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.512 ' NH1' HD21 ' A' ' 110' ' ' LEU . 2.4 ptp180 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -117.2 86.03 20.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 138.84 23.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.603 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.7 p90 -150.98 131.88 14.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.597 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 13.0 t -83.65 163.1 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 4.2 ttpt -147.81 109.53 4.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.948 HD11 HG13 ' A' ' 27' ' ' ILE . 3.3 mt -90.65 152.07 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.618 ' O ' HD13 ' A' ' 51' ' ' LEU . 6.6 m-85 -151.77 98.48 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -67.31 92.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 49' ' ' TYR . 4.5 mp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.591 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 62' ' ' THR . 13.6 ttp180 -139.73 142.7 36.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 61' ' ' ARG . 59.9 p -81.22 162.82 23.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -57.28 141.77 45.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.9 m -80.09 111.06 16.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.405 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.786 HG11 HG21 ' A' ' 68' ' ' THR . 1.5 t -74.03 149.33 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -112.8 118.69 35.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt 50.19 97.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.786 HG21 HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -177.99 110.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.445 ' O ' HD22 ' A' ' 33' ' ' LEU . 2.1 mp -67.51 -23.35 65.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 4.5 mt-10 -128.11 90.67 46.7 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.576 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -75.01 145.21 31.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -131.49 96.32 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.682 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.4 m-90 -91.19 -47.9 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.019 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' ILE . 2.7 m120 40.4 48.63 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -93.47 179.46 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.6 m -125.65 146.37 49.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.432 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.591 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 59.2 m-85 -149.46 113.39 5.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.459 ' CG1' HG13 ' A' ' 24' ' ' ILE . 6.8 mt -103.07 140.61 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 59.3 m-85 -136.13 117.68 14.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.482 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -147.13 158.9 43.93 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.092 . . . . 0.0 110.021 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -74.95 142.08 73.69 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.026 -0.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.919 HG11 ' HB2' ' A' ' 23' ' ' LEU . 19.6 t -134.47 113.82 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -104.7 166.77 10.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -68.57 -50.47 51.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -12.25 28.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.5 mm-40 -84.72 -22.62 29.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.461 ' HB3' ' N ' ' A' ' 118' ' ' GLU . 11.1 m-30 -52.85 -55.87 19.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -15.77 13.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -102.34 -15.54 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.1 OUTLIER -138.73 119.19 13.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.48 ' CG ' ' N ' ' A' ' 92' ' ' LEU . 1.2 ttt -117.31 158.1 24.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.576 ' CD1' HD21 ' A' ' 117' ' ' LEU . 37.7 mt -96.72 148.55 22.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -135.66 91.78 2.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.609 HD13 HD12 ' A' ' 115' ' ' ILE . 3.4 mp -94.09 131.29 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.632 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -135.36 144.74 46.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.901 HD13 ' N ' ' A' ' 97' ' ' TRP . 0.7 OUTLIER -105.76 142.48 35.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.901 ' N ' HD13 ' A' ' 96' ' ' LEU . 1.1 m95 -149.63 144.23 26.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 108.005 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 1.0 OUTLIER -105.83 109.13 20.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.599 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 65.0 t80 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.514 0.197 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.659 HD12 ' CD1' ' A' ' 96' ' ' LEU . 54.1 mt -87.78 -16.89 32.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.599 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 150.65 169.22 16.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.632 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.7 pt-20 -124.54 136.21 53.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.588 HD11 ' HB2' ' A' ' 10' ' ' LEU . 59.2 mt -118.09 104.85 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -93.58 134.63 35.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.609 HD12 HD13 ' A' ' 94' ' ' ILE . 4.8 mt -136.89 118.88 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.47 ' CG ' ' HE3' ' A' ' 91' ' ' MET . 41.8 mt-10 -87.64 115.29 24.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.576 HD21 ' CD1' ' A' ' 92' ' ' LEU . 17.2 mt -48.99 -29.78 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.461 ' N ' ' HB3' ' A' ' 87' ' ' PHE . 7.1 tt0 -51.49 -53.79 33.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 8.4 p -118.04 30.95 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.437 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -71.9 140.88 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.2 mt -79.44 89.45 5.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.629 HD23 ' CB ' ' A' ' 14' ' ' LEU . 5.0 mt -101.99 111.34 23.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 124' ' ' ASP . 2.7 t0 -177.07 36.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.442 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 5.5 t0 39.25 33.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 10.7 mt-10 -108.89 127.73 26.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.507 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.96 124.02 8.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -125.72 147.09 49.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.613 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.561 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 93.6 m95 -97.73 107.73 20.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 107.977 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -101.15 104.64 15.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -50.74 151.93 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.693 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -91.94 157.53 16.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 12.1 pt20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.413 ' HG2' ' CG ' ' A' ' 130' ' ' LYS . 33.6 mt-30 -147.11 124.36 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.864 HD13 ' HB2' ' A' ' 30' ' ' ALA . 33.9 tp -114.56 141.33 47.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 128' ' ' TRP . 3.9 t -103.09 120.72 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mt -129.75 130.16 66.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.574 ' CE ' HD21 ' A' ' 28' ' ' LEU . 3.1 ttmt -106.77 115.38 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.605 ' CB ' HD23 ' A' ' 122' ' ' LEU . 12.7 mt -110.26 152.93 25.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.77 ' O ' HD22 ' A' ' 23' ' ' LEU . 9.0 t-105 -158.31 159.22 35.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.535 ' HB2' HD13 ' A' ' 122' ' ' LEU . 54.2 t80 -125.98 128.31 47.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.406 ' HB3' ' OE1' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -113.59 88.67 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -20.6 63.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.0 t -52.92 -74.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.533 ' CA ' ' OE1' ' A' ' 22' ' ' GLN . . . -88.99 2.45 84.06 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 30.7 m80 61.66 39.13 14.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.536 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -118.83 119.35 34.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.933 ' C ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.29 142.27 48.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.138 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.75 HD12 ' C ' ' A' ' 23' ' ' LEU . 1.5 mp -111.17 129.32 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.739 HG12 ' CD1' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -145.93 99.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.83 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -97.82 137.3 36.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.912 HG13 HD11 ' A' ' 48' ' ' ILE . 46.0 mm -98.26 93.31 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.691 HD11 ' HB3' ' A' ' 126' ' ' PRO . 16.2 mt -56.69 -100.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.561 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.92 172.05 35.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.864 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -105.78 170.61 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -160.34 158.5 29.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 54.37 37.29 27.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.863 HD21 HD21 ' A' ' 96' ' ' LEU . 3.2 mp . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.751 ' NH2' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -122.83 85.87 50.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HG3' ' NH2' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -75.0 156.43 43.0 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.7 p90 -161.13 130.97 4.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.77 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 4.9 t -87.36 155.8 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -147.0 109.55 4.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.912 HD11 HG13 ' A' ' 27' ' ' ILE . 3.5 mt -91.5 149.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.02 102.2 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.643 ' CE1' HD11 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -72.38 102.76 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.584 ' HG2' ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 62' ' ' THR . 6.9 ttm180 -138.43 142.21 39.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 110.331 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.413 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 28.1 p -81.93 160.05 23.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.98 144.62 44.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.9 m -80.53 109.32 14.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.695 HG11 HG21 ' A' ' 68' ' ' THR . 1.4 t -76.69 146.19 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -113.56 132.93 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt 44.22 90.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.695 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -179.16 111.97 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.7 mp -74.03 -19.1 60.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.446 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.8 mt-10 -129.31 89.3 48.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.591 ' HD2' ' HB3' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -74.98 149.9 37.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -135.0 94.43 3.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.834 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.3 m-90 -89.24 -41.26 12.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 107.987 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.7 OUTLIER 38.31 36.48 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.83 ' O ' HG23 ' A' ' 26' ' ' THR . 2.0 mm100 -85.27 174.18 9.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.464 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 5.8 m -123.22 147.63 46.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.584 ' CE1' ' HG2' ' A' ' 60' ' ' ARG . 28.2 m-85 -146.35 113.21 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.495 HG23 ' CB ' ' A' ' 22' ' ' GLN . 11.1 mt -102.35 138.19 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.598 ' HD2' HD12 ' A' ' 23' ' ' LEU . 44.6 m-85 -132.76 120.35 21.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.97 157.58 46.4 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -74.96 138.76 57.92 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.042 -0.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.838 HG11 ' HB2' ' A' ' 23' ' ' LEU . 19.7 t -133.27 108.96 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -103.0 168.67 9.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.617 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -80.33 -14.1 58.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.282 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -6.29 49.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.63 -36.67 14.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.245 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.514 ' CG ' ' HB3' ' A' ' 117' ' ' LEU . 11.9 m-30 -38.12 -52.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -42.32 -48.48 5.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -103.39 26.04 8.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -151.01 114.76 4.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -125.55 149.76 48.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.827 HD12 HD21 ' A' ' 117' ' ' LEU . 9.1 mt -95.04 146.95 23.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.436 ' HG3' HD21 ' A' ' 114' ' ' LEU . 9.4 tt0 -130.09 108.38 10.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.633 ' N ' HD12 ' A' ' 94' ' ' ILE . 3.0 mp -108.0 137.94 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.674 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -138.56 146.14 41.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.863 HD21 HD21 ' A' ' 33' ' ' LEU . 19.2 tp -117.92 134.61 54.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -139.19 163.43 32.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 107.987 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.31 107.65 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.31 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 87.9 t80 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.53 0.205 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.3 mt -68.99 -20.55 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 149.34 -172.35 29.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.674 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.3 pt-20 -144.63 134.71 24.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.79 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.625 HD11 ' CD2' ' A' ' 131' ' ' LEU . 48.6 mt -116.23 114.8 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.462 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.2 OUTLIER -105.89 136.09 46.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.474 HD12 HD13 ' A' ' 94' ' ' ILE . 3.9 mt -137.37 125.47 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 120' ' ' ALA . 25.4 mt-10 -88.61 120.7 30.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.827 HD21 HD12 ' A' ' 92' ' ' LEU . 11.5 mt -55.87 -29.12 59.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.45 ' N ' ' HB3' ' A' ' 87' ' ' PHE . 2.7 tt0 -55.92 -52.47 64.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.7 p -112.92 26.68 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -72.17 140.93 49.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 98.7 mt -83.88 90.31 7.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.605 HD23 ' CB ' ' A' ' 14' ' ' LEU . 10.5 mt -102.53 103.1 13.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -161.78 31.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.0 t0 47.34 27.68 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -105.82 121.78 44.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.691 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 125.23 9.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -119.4 173.56 6.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.569 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 88.7 m95 -121.6 107.36 12.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 108.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -100.34 115.53 30.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 13.4 mtmt -63.64 156.72 25.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.674 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -92.13 161.47 14.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -131.36 139.12 49.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 0.729 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.529 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -122.46 141.32 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.505 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 79.0 p -110.49 115.72 30.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.529 HD11 HD13 ' A' ' 10' ' ' LEU . 6.2 mt -126.71 129.02 71.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.65 ' CE ' HD21 ' A' ' 28' ' ' LEU . 4.1 ttmt -104.33 121.98 44.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 14.9 mt -114.36 153.29 30.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -158.3 150.88 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 12.1 t80 -115.55 127.73 55.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.4 81.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.68 -18.34 30.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.56 -72.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.42 9.06 64.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.7 m80 59.64 63.3 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.631 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.71 143.33 49.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.855 ' HB2' HG11 ' A' ' 82' ' ' VAL . 20.2 tp -96.09 117.61 31.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.597 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp -93.03 124.76 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.47 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -136.42 107.85 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.873 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.2 m -105.19 122.77 46.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.819 HG13 HD11 ' A' ' 48' ' ' ILE . 44.5 mm -86.38 96.68 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.65 HD21 ' CE ' ' A' ' 13' ' ' LYS . 15.8 mt -59.05 -100.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.575 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -161.0 161.04 32.58 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 70' ' ' GLU . . . -98.64 159.58 14.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.53 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -155.3 164.44 38.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 59.53 27.49 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.506 HH12 HD22 ' A' ' 110' ' ' LEU . 1.4 ptp180 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -120.57 88.37 42.93 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.76 42.88 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.773 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.606 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 19.3 p90 -167.36 123.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.718 HG22 HD13 ' A' ' 96' ' ' LEU . 4.4 t -81.09 154.09 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -144.13 110.81 5.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.819 HD11 HG13 ' A' ' 27' ' ' ILE . 3.3 mt -92.0 157.95 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.543 ' CE2' ' HD2' ' A' ' 47' ' ' LYS . 6.0 m-85 -154.71 99.19 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CD1' HD21 ' A' ' 92' ' ' LEU . 42.6 t80 -66.25 87.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.455 ' HA ' HD12 ' A' ' 51' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.453 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 19.3 mmt180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 18.8 ttp-105 -135.06 140.71 45.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.495 HG21 HG21 ' A' ' 27' ' ' ILE . 41.4 p -82.76 170.85 14.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -69.96 144.51 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.9 m -80.11 112.98 17.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.753 HG11 HG21 ' A' ' 68' ' ' THR . 1.4 t -79.22 152.27 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 67' ' ' LYS . 12.8 mmtt -113.11 126.09 55.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 66' ' ' LYS . 3.0 mttp 44.33 93.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.753 HG21 HG11 ' A' ' 65' ' ' VAL . 1.4 t -176.47 117.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.602 ' O ' HD22 ' A' ' 33' ' ' LEU . 2.8 mt -78.75 -20.26 50.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 7.7 mt-10 -126.29 83.73 63.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.554 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.5 Cg_endo -74.98 133.34 16.5 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.555 1.818 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -117.41 99.17 6.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.745 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.8 m-90 -92.24 -42.4 9.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 108.038 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.4 OUTLIER 38.02 36.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.873 ' O ' HG23 ' A' ' 26' ' ' THR . 2.1 mm100 -85.69 173.81 9.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.413 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 1.4 m -125.71 145.81 50.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.453 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 35.7 m-85 -146.71 114.32 6.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.8 mt -98.09 136.84 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.504 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.2 m-85 -126.63 111.83 14.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.506 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -146.1 160.95 41.45 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.5 Cg_endo -74.96 141.14 70.89 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.051 -2.479 . . . . 0.0 111.016 -0.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.855 HG11 ' HB2' ' A' ' 23' ' ' LEU . 19.9 t -135.17 115.49 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -99.77 156.32 17.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.583 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.475 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 3.9 tpt180 -70.31 -20.55 63.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.407 ' NE ' ' HG2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -87.72 -12.01 46.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.407 ' HG2' ' NE ' ' A' ' 85' ' ' ARG . 1.6 mm-40 -91.91 -3.86 55.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -64.02 -42.64 97.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.33 1.81 20.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -122.08 -0.65 9.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.74 132.43 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.694 ' CE ' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -129.15 154.97 46.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.97 HD23 HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -95.37 153.13 17.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.641 ' HG3' HD11 ' A' ' 114' ' ' LEU . 12.9 tt0 -138.41 91.98 2.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.413 HD12 ' H ' ' A' ' 94' ' ' ILE . 4.4 mp -86.8 139.5 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.662 HG22 ' HB2' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -133.09 144.62 50.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.41 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.718 HD13 HG22 ' A' ' 46' ' ' VAL . 24.3 tp -122.58 132.41 54.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.583 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -140.3 -179.14 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 107.971 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -131.64 114.94 15.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 75.1 t80 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.495 0.188 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.506 HD22 HH12 ' A' ' 42' ' ' ARG . 16.7 mt -68.99 -31.21 69.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 143.84 152.33 5.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.662 ' HB2' HG22 ' A' ' 95' ' ' THR . 1.1 pt-20 -114.48 151.21 33.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.62 HD11 ' HG ' ' A' ' 131' ' ' LEU . 76.4 mt -121.04 101.39 10.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.694 HD23 ' CE ' ' A' ' 91' ' ' MET . 1.3 mp -91.54 146.96 23.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.562 HD11 HG22 ' A' ' 113' ' ' ILE . 2.0 mp -142.64 139.52 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.404 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 14.6 mt-10 -100.15 108.83 21.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.97 HD21 HD23 ' A' ' 92' ' ' LEU . 7.8 mt -45.98 -30.15 1.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -59.9 -45.68 91.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.5 p -112.21 22.36 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -78.39 117.06 19.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.477 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -74.82 86.9 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.91 125.98 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.9 t0 177.85 38.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.5 t70 40.41 39.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -111.35 120.65 42.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.636 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.07 122.45 7.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -126.36 142.69 51.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.53 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 96.2 m95 -92.18 106.9 18.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.401 ' HB2' HD13 ' A' ' 113' ' ' ILE . 53.3 m-85 -95.69 134.07 39.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.032 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -75.26 144.05 42.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.62 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -91.25 150.46 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -148.2 123.73 10.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.513 HD23 ' H ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -110.52 136.55 49.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.569 ' OG ' ' CE3' ' A' ' 128' ' ' TRP . 37.6 m -99.88 120.87 40.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.473 HD11 HD13 ' A' ' 10' ' ' LEU . 5.4 mt -131.62 125.24 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.639 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.6 ttmt -101.27 114.4 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.454 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 15.9 mt -107.74 154.85 20.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.49 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 29.7 t-105 -158.66 159.82 35.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 107.981 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.94 ' HB2' HD13 ' A' ' 122' ' ' LEU . 32.2 t80 -125.61 120.41 30.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -100.31 82.89 2.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -18.52 45.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.5 t -52.78 -65.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.96 5.56 42.64 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 63.52 59.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.586 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.55 139.47 52.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.789 ' HB2' HG11 ' A' ' 82' ' ' VAL . 25.8 tp -91.13 118.36 30.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.504 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.6 mp -93.4 131.88 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -145.6 105.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.925 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.1 m -103.04 122.23 44.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.87 HG13 HD11 ' A' ' 48' ' ' ILE . 36.9 mm -85.81 100.35 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.639 HD21 ' CE ' ' A' ' 13' ' ' LYS . 12.8 mt -64.79 -99.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.459 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -154.11 171.82 32.73 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.495 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -112.12 159.11 18.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.554 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -151.36 169.82 21.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 62.96 25.72 15.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 69' ' ' LEU . 24.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.406 ' NH1' ' OD2' ' A' ' 98' ' ' ASP . 4.9 ptp180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -116.66 81.46 11.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.8 32.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.458 1.767 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.53 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.5 p90 -175.47 135.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.78 HG22 HD13 ' A' ' 96' ' ' LEU . 3.3 t -92.14 160.48 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -149.66 105.07 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.87 HD11 HG13 ' A' ' 27' ' ' ILE . 2.3 mt -92.4 150.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.557 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -154.99 98.07 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.505 ' CE1' HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -58.68 109.23 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 49' ' ' TYR . 3.8 mp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -126.89 136.32 52.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.415 HG22 ' CE2' ' A' ' 77' ' ' PHE . 81.1 p -81.92 166.68 19.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.09 145.19 43.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.7 m -81.16 110.31 16.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.757 HG11 HG21 ' A' ' 68' ' ' THR . 1.5 t -77.67 149.09 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -122.86 128.3 50.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt 53.85 85.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.757 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.52 113.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.358 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.57 ' O ' HD12 ' A' ' 33' ' ' LEU . 5.4 mp -71.61 -22.3 61.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 4.7 mt-10 -130.18 92.59 35.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.628 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.2 Cg_endo -75.03 147.53 33.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HG3' ' C ' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -127.2 95.07 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.845 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.8 m-90 -88.87 -45.79 9.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 108.023 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER 40.48 33.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.925 ' O ' HG23 ' A' ' 26' ' ' THR . 0.6 OUTLIER -83.38 -177.28 6.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.9 m -132.82 139.25 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.461 ' O ' HG13 ' A' ' 25' ' ' VAL . 41.2 m-85 -140.64 116.2 10.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.6 mt -101.85 146.69 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.532 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.3 m-85 -136.55 110.52 8.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.488 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.62 160.52 41.14 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -74.97 141.51 71.99 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.979 0.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.789 HG11 ' HB2' ' A' ' 23' ' ' LEU . 6.7 t -131.55 119.35 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -102.19 168.23 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.576 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -84.23 -19.92 33.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.367 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.35 -3.99 58.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.11 -29.18 13.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 6.8 m-30 -44.42 -55.12 5.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -45.35 -53.78 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -89.99 29.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.458 ' C ' HD13 ' A' ' 117' ' ' LEU . 2.5 mtt180 -142.54 142.07 32.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.586 ' HE1' ' HB3' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -152.38 135.07 15.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 23' ' ' LEU . 1.4 mt -92.0 131.06 37.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 24.5 tt0 -115.34 98.21 6.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.35 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.671 ' N ' HD12 ' A' ' 94' ' ' ILE . 3.0 mp -91.92 145.85 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.59 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -144.44 140.36 28.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.78 HD13 HG22 ' A' ' 46' ' ' VAL . 27.0 tp -114.0 135.9 53.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.508 ' CE2' ' HB ' ' A' ' 95' ' ' THR . 0.1 OUTLIER -142.94 165.78 26.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 107.988 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.406 ' OD2' ' NH1' ' A' ' 42' ' ' ARG . 3.3 t0 -120.83 104.94 10.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.414 ' CD1' ' CZ3' ' A' ' 97' ' ' TRP . 36.9 t80 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.538 0.209 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.482 HD12 ' HG ' ' A' ' 96' ' ' LEU . 96.9 mt -72.58 -33.77 66.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.79 -178.66 36.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.59 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.0 pt-20 -137.64 136.64 37.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 0.79 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 131' ' ' LEU . 70.8 mt -114.68 111.98 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.586 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 0.1 OUTLIER -95.4 133.69 39.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.455 HD12 HG22 ' A' ' 113' ' ' ILE . 2.8 mt -140.54 143.43 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.551 ' O ' ' HB2' ' A' ' 120' ' ' ALA . 6.6 mt-10 -109.95 139.45 45.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.68 ' N ' HD12 ' A' ' 117' ' ' LEU . 1.8 mp -77.26 -16.21 59.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -57.8 -38.02 74.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.344 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 67.7 p -134.25 10.14 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.623 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -40.26 136.44 1.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.46 87.39 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.94 HD13 ' HB2' ' A' ' 16' ' ' PHE . 43.8 mt -97.93 77.45 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.22 2.85 9.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.49 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 27.5 t70 61.58 26.22 15.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.99 150.85 45.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.48 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 121.85 6.84 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -125.9 131.82 52.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.569 ' CE3' ' OG ' ' A' ' 11' ' ' SER . 96.0 m95 -83.49 137.86 33.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -131.89 122.27 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -63.52 153.74 34.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.65 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -90.81 159.75 16.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -140.86 138.93 34.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.86 HD13 ' HB2' ' A' ' 30' ' ' ALA . 44.6 tp -118.35 153.68 33.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.524 ' H ' HD12 ' A' ' 10' ' ' LEU . 64.1 m -111.51 109.3 19.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.957 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.554 HD11 HD23 ' A' ' 10' ' ' LEU . 6.5 mt -120.32 121.83 66.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.673 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.6 ttmt -100.1 114.96 28.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.579 ' CB ' HD23 ' A' ' 122' ' ' LEU . 18.0 mt -107.23 151.57 25.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.0 t-105 -158.52 152.18 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 108.014 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -114.39 131.79 56.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.66 94.01 4.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -21.97 63.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.7 t -51.94 -68.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.89 5.2 53.4 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.5 m170 62.1 64.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.633 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.425 ' HB3' HG23 ' A' ' 78' ' ' ILE . 1.0 OUTLIER -132.21 148.12 52.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.809 ' HB2' HG11 ' A' ' 82' ' ' VAL . 18.9 tp -98.89 119.82 38.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.555 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp -94.72 130.51 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.515 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -141.6 101.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.905 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.3 m -96.43 121.18 37.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.422 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.036 HG22 ' CE3' ' A' ' 73' ' ' TRP . 49.5 mm -85.28 89.37 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.673 HD21 ' CE ' ' A' ' 13' ' ' LYS . 11.1 mt -54.91 -98.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.588 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -159.8 172.41 36.35 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.86 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -110.45 170.7 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.85 171.1 21.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' LYS . 88.2 m-20 39.85 43.54 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.468 ' CD ' ' HB2' ' A' ' 98' ' ' ASP . 1.3 ptt-85 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 66' ' ' LYS . 3.2 m-20 -114.62 87.28 14.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -74.96 156.67 43.17 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 5.1 p90 -167.63 134.2 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.974 HG22 HD13 ' A' ' 96' ' ' LEU . 22.6 t -91.85 155.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.18 109.91 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.818 HD11 HG13 ' A' ' 27' ' ' ILE . 3.5 mt -91.4 150.09 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -155.36 97.92 1.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.761 ' CD1' HD21 ' A' ' 92' ' ' LEU . 23.1 t80 -64.3 120.96 13.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.56 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 25.7 mmt180 . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -139.37 136.88 35.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.475 HG21 ' HB ' ' A' ' 27' ' ' ILE . 67.7 p -82.18 165.31 20.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -58.84 145.22 41.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.8 m -80.58 110.66 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.445 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.825 HG11 HG21 ' A' ' 68' ' ' THR . 1.9 t -72.27 156.19 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HD3' ' ND2' ' A' ' 43' ' ' ASN . 12.7 mmtt -118.07 127.48 53.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 66' ' ' LYS . 13.4 mttt 41.51 91.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.825 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -179.42 108.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.162 . . . . 0.0 110.374 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -69.5 -22.54 63.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.417 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.6 mt-10 -122.56 87.58 49.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.704 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.3 Cg_endo -74.98 152.09 40.44 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -136.3 94.3 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 1.036 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.5 m-90 -90.5 -41.36 11.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 108.035 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.4 OUTLIER 39.36 34.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.905 ' O ' HG23 ' A' ' 26' ' ' THR . 1.7 mm100 -83.85 -179.07 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.4 m -129.51 144.61 51.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 46.7 m-85 -143.15 113.62 7.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 22' ' ' GLN . 32.4 mt -98.55 128.98 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.512 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.4 m-85 -120.35 111.33 17.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.529 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -146.22 162.09 36.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.044 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.529 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.2 Cg_endo -75.0 141.09 70.74 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.999 0.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.809 HG11 ' HB2' ' A' ' 23' ' ' LEU . 16.0 t -133.4 117.7 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -101.62 157.08 17.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.602 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -66.18 -39.61 89.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -28.3 66.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.46 -38.34 86.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -38.12 -53.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -46.51 -49.96 17.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.19 48.16 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.355 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.631 ' HG2' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -169.89 141.29 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.489 ' CE ' ' HG2' ' A' ' 116' ' ' GLU . 2.3 ttm -148.04 146.32 28.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.761 HD21 ' CD1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -93.1 154.02 18.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.679 ' HG3' HD11 ' A' ' 114' ' ' LEU . 15.6 tt0 -138.6 91.82 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.46 ' H ' HD12 ' A' ' 94' ' ' ILE . 5.1 mp -88.17 140.33 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.619 HG22 ' HB2' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -131.23 146.33 52.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.393 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.974 HD13 HG22 ' A' ' 46' ' ' VAL . 34.1 tp -127.79 132.99 49.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -142.13 -169.75 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 107.955 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.468 ' HB2' ' CD ' ' A' ' 42' ' ' ARG . 3.0 t0 -139.74 120.15 13.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.526 ' CE2' ' HA2' ' A' ' 111' ' ' GLY . 82.6 t80 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.506 0.193 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.4 mt -58.61 -29.79 66.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 109' ' ' PHE . . . 138.39 150.68 5.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.619 ' HB2' HG22 ' A' ' 95' ' ' THR . 0.9 OUTLIER -109.14 158.9 17.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.599 HG22 HD11 ' A' ' 115' ' ' ILE . 82.9 mt -127.43 102.25 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.679 HD11 ' HG3' ' A' ' 93' ' ' GLU . 2.4 mp -93.0 146.37 23.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.599 HD11 HG22 ' A' ' 113' ' ' ILE . 2.1 mp -143.09 129.19 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.489 ' HG2' ' CE ' ' A' ' 91' ' ' MET . 38.6 mt-10 -85.3 107.3 17.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.438 ' HA ' ' CB ' ' A' ' 120' ' ' ALA . 9.5 mt -43.53 -31.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.03 -45.6 92.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 116' ' ' GLU . 73.9 p -111.01 21.57 16.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -76.0 101.92 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.992 ' O ' HD12 ' A' ' 121' ' ' LEU . 4.0 pp -63.53 95.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.579 HD23 ' CB ' ' A' ' 14' ' ' LEU . 1.6 mt -100.21 114.29 27.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -159.46 28.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 49.1 t0 47.57 43.24 15.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 3.9 mt-10 -121.35 132.86 24.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.506 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.98 123.92 8.25 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.77 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.55 ' HB3' ' CE1' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -126.15 144.55 50.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 109.585 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.586 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 97.8 m95 -94.41 106.01 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 127' ' ' HIS . 29.0 m-85 -99.58 118.98 37.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 147.63 42.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.563 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.1 mt -90.0 153.72 20.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -142.27 135.28 28.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.548 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -115.03 136.0 53.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.587 ' HB2' ' CH2' ' A' ' 128' ' ' TRP . 1.7 t -100.87 126.62 47.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.707 ' CG2' HD11 ' A' ' 14' ' ' LEU . 8.4 mt -141.74 148.78 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.645 ' HB2' HD11 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -124.27 114.28 19.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.786 ' HB2' HD23 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -109.46 157.4 19.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -158.53 148.86 19.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 107.991 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -114.22 130.35 56.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.34 83.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -19.36 57.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.46 -69.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.43 7.61 78.17 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 52.18 48.25 23.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.54 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.73 142.29 51.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.83 ' HB2' HG11 ' A' ' 82' ' ' VAL . 15.0 tp -95.45 115.91 28.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp -88.57 137.46 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.504 ' HB ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -152.22 128.76 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.802 HG22 HD12 ' A' ' 28' ' ' LEU . 1.3 m -125.92 126.99 45.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.886 HG13 HD11 ' A' ' 48' ' ' ILE . 44.7 mm -87.25 87.09 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.802 HD12 HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -50.71 -99.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.591 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.33 165.86 35.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.594 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -101.7 168.93 9.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.01 160.09 39.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 58.9 45.34 15.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.594 HD21 ' HB1' ' A' ' 30' ' ' ALA . 20.1 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -117.17 81.25 12.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 98' ' ' ASP . 18.1 Cg_endo -75.05 165.37 31.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.791 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 28.5 p90 -168.93 123.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.831 HG22 HD13 ' A' ' 96' ' ' LEU . 6.3 t -74.88 161.07 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.401 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -146.38 111.31 5.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.354 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.886 HD11 HG13 ' A' ' 27' ' ' ILE . 3.1 mt -94.06 150.71 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.427 ' O ' HD13 ' A' ' 51' ' ' LEU . 2.4 m-85 -154.38 103.79 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CD1' HD21 ' A' ' 92' ' ' LEU . 37.0 t80 -73.63 94.82 2.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 49' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.567 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 62' ' ' THR . 6.5 ttm180 -129.0 140.71 51.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.577 HG22 ' CZ ' ' A' ' 77' ' ' PHE . 75.0 p -83.32 168.48 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.3 141.83 57.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.3 m -80.4 113.04 18.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.9 HG11 HG21 ' A' ' 68' ' ' THR . 2.1 t -71.76 153.93 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 67' ' ' LYS . 17.0 mmtt -115.05 117.2 29.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 66' ' ' LYS . 47.7 mttt 47.99 97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.9 HG21 HG11 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -176.12 114.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.393 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.19 -23.49 62.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 3.2 mt-10 -128.28 92.47 41.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.609 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.2 Cg_endo -75.04 158.57 41.96 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -144.47 99.4 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.86 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.3 m-90 -98.69 -49.09 4.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 107.968 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER 40.27 38.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.776 ' O ' HG23 ' A' ' 26' ' ' THR . 3.3 mm100 -80.95 172.53 13.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.6 m -110.39 142.1 42.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.577 ' CZ ' HG22 ' A' ' 62' ' ' THR . 53.0 m-85 -149.55 113.78 5.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.5 mt -103.9 145.86 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.532 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 10.3 m-85 -136.06 112.15 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.506 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.35 160.72 41.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.971 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -75.03 141.77 72.72 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.987 0.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.83 HG11 ' HB2' ' A' ' 23' ' ' LEU . 14.2 t -133.38 127.25 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -113.61 167.31 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.595 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.434 ' HD2' ' CE2' ' A' ' 87' ' ' PHE . 5.9 tpt180 -80.01 -15.36 57.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.17 -3.01 48.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.3 mm-40 -100.16 -6.95 25.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.497 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 7.6 m-30 -61.32 -49.55 76.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -67.38 -8.53 33.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -112.77 -10.15 13.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.453 ' HD3' ' CE2' ' A' ' 50' ' ' PHE . 52.8 mtt180 -138.44 128.52 25.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.561 ' HE3' ' HG2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -128.34 150.7 49.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.587 HD23 HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -96.18 144.25 26.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.457 ' HG3' HD21 ' A' ' 114' ' ' LEU . 9.3 tt0 -131.87 98.29 4.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.661 ' N ' HD12 ' A' ' 94' ' ' ILE . 2.9 mp -97.73 129.89 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.73 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -130.66 138.13 49.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.831 HD13 HG22 ' A' ' 46' ' ' VAL . 28.7 tp -108.46 129.68 55.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.577 ' CE3' ' HB2' ' A' ' 109' ' ' PHE . 4.6 m95 -128.28 174.53 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 0.5 OUTLIER -135.67 116.3 13.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.577 ' HB2' ' CE3' ' A' ' 97' ' ' TRP . 93.4 t80 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.518 0.199 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.7 mt -86.27 -25.24 25.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.14 -178.0 36.37 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.73 ' CB ' HG22 ' A' ' 95' ' ' THR . 1.2 pt-20 -139.32 143.6 37.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 10' ' ' LEU . 40.6 mt -126.37 117.29 48.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.499 HD13 ' HE2' ' A' ' 91' ' ' MET . 0.1 OUTLIER -104.86 135.39 46.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.598 HD12 HD13 ' A' ' 94' ' ' ILE . 5.2 mt -133.98 128.1 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.561 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 9.3 mt-10 -97.19 108.46 21.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.587 HD21 HD23 ' A' ' 92' ' ' LEU . 18.4 mt -45.71 -27.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -58.28 -39.45 79.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 116' ' ' GLU . 71.9 p -125.29 30.75 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.421 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -83.83 109.64 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 1.025 ' O ' HD12 ' A' ' 121' ' ' LEU . 4.0 pp -68.45 97.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.786 HD23 ' HB2' ' A' ' 14' ' ' LEU . 1.5 mt -104.89 125.06 50.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 125' ' ' GLU . 6.5 t0 179.72 44.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 124' ' ' ASP . 26.2 t0 47.62 24.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 123' ' ' ASP . 14.7 mt-10 -111.6 102.7 53.94 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.768 ' HB3' HD21 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 135.59 19.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -126.4 150.57 48.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.589 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 84.6 m95 -86.91 107.27 18.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -90.83 135.78 33.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -71.46 141.28 50.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.498 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -92.98 154.69 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -137.55 130.52 30.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.638 HD13 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -114.27 136.77 52.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.53 ' H ' HD23 ' A' ' 10' ' ' LEU . 67.2 m -99.88 115.98 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.638 HD11 HD13 ' A' ' 10' ' ' LEU . 7.8 mt -132.07 129.56 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.542 ' CE ' HD21 ' A' ' 28' ' ' LEU . 3.3 ttmt -105.02 113.89 27.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' CD1' HG21 ' A' ' 115' ' ' ILE . 65.4 mt -105.04 151.12 24.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.461 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 6.4 t-105 -159.03 148.53 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 107.97 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.593 ' HE1' HG12 ' A' ' 82' ' ' VAL . 63.5 t80 -111.08 138.27 47.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' A' ' 20' ' ' GLY . 18.5 t70 -113.52 108.69 17.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.88 -26.79 19.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.61 HG23 ' H ' ' A' ' 20' ' ' GLY . 27.0 m -55.83 -60.57 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.61 ' H ' HG23 ' A' ' 19' ' ' VAL . . . -97.84 2.85 60.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.115 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 80' ' ' SER . 56.9 m-70 58.96 63.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.767 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -138.8 159.98 40.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.988 ' HB2' HG11 ' A' ' 82' ' ' VAL . 6.1 tp -110.09 122.12 46.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.595 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp -93.89 148.03 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.474 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -162.46 103.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.1 m -101.29 128.79 47.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.868 HG22 ' CE3' ' A' ' 73' ' ' TRP . 48.6 mm -92.67 93.7 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' A' ' 126' ' ' PRO . 12.6 mt -57.02 -99.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.563 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.6 168.84 34.92 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.501 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . . . -106.63 162.24 13.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.571 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -149.63 164.3 35.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 50.54 55.6 9.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 69' ' ' LEU . 1.3 mp . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -120.46 84.63 36.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.55 42.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.591 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 2.2 p90 -173.05 122.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.809 HG22 HD13 ' A' ' 96' ' ' LEU . 16.8 t -73.77 161.01 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -149.96 110.89 4.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.629 HD11 HG13 ' A' ' 27' ' ' ILE . 2.4 mt -91.35 157.09 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.433 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -155.2 98.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.609 ' CD1' HD21 ' A' ' 92' ' ' LEU . 39.9 t80 -68.98 88.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.542 ' HD2' ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.97 162.5 24.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.524 ' HB ' ' CD1' ' A' ' 73' ' ' TRP . 39.1 p -81.77 166.1 20.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.95 148.27 35.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.8 m -80.71 112.05 17.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.655 HG11 HG21 ' A' ' 68' ' ' THR . 0.7 OUTLIER -81.91 142.07 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 67' ' ' LYS . 14.7 mmtt -106.03 130.3 53.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER 43.41 93.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.655 HG21 HG11 ' A' ' 65' ' ' VAL . 1.3 t -175.88 119.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.444 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.575 ' O ' HD22 ' A' ' 33' ' ' LEU . 55.2 mt -81.44 -19.79 41.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.435 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.8 mt-10 -129.87 85.55 57.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.574 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.2 Cg_endo -74.95 141.23 26.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -124.79 98.66 5.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.868 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.6 m-90 -92.06 -43.94 9.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 107.98 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' TRP . 1.1 m-80 38.71 39.09 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.849 ' O ' HG23 ' A' ' 26' ' ' THR . 1.3 mm100 -85.85 -175.19 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 m -133.94 135.7 43.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.542 ' CE1' ' HD2' ' A' ' 60' ' ' ARG . 47.5 m-85 -138.01 119.22 14.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.47 ' CG1' HG13 ' A' ' 24' ' ' ILE . 5.8 mt -110.74 139.31 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.516 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 84.8 m-85 -129.08 119.89 24.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.523 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -145.65 161.57 40.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.523 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.1 Cg_endo -75.05 143.28 77.26 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.959 0.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.988 HG11 ' HB2' ' A' ' 23' ' ' LEU . 19.5 t -135.59 118.72 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -105.65 159.99 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.598 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 tpt85 -73.56 -19.68 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -9.32 49.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -93.55 -11.2 32.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.524 ' CZ ' ' CD1' ' A' ' 16' ' ' PHE . 2.6 m-30 -55.16 -39.16 69.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -83.54 0.94 44.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -105.01 -20.4 13.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -145.38 148.31 33.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.425 ' HE3' ' CG ' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -131.42 153.53 49.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.609 HD21 ' CD1' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -93.65 147.55 22.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.474 ' HG3' HD21 ' A' ' 114' ' ' LEU . 14.9 tt0 -136.53 102.02 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.754 ' N ' HD12 ' A' ' 94' ' ' ILE . 2.2 mp -98.8 140.35 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.569 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -143.2 144.15 32.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 110.364 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.809 HD13 HG22 ' A' ' 46' ' ' VAL . 16.7 tp -107.64 134.76 50.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.58 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 1.1 m95 -138.04 162.88 32.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -124.44 98.48 5.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 48.4 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.517 0.199 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.564 HD12 ' HG ' ' A' ' 96' ' ' LEU . 28.6 mt -79.12 -51.72 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -171.84 -175.51 40.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.569 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.3 pt-20 -140.85 137.77 33.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.48 HD11 ' HG ' ' A' ' 131' ' ' LEU . 59.0 mt -126.47 114.99 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.474 HD21 ' HG3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -101.94 135.0 44.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.601 HD12 HD13 ' A' ' 94' ' ' ILE . 3.9 mt -136.72 117.51 17.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.425 ' CG ' ' HE3' ' A' ' 91' ' ' MET . 29.9 mt-10 -86.83 111.51 20.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.538 HD21 HD23 ' A' ' 92' ' ' LEU . 24.5 mt -44.22 -34.17 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -53.93 -52.71 59.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.8 p -111.2 28.14 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.45 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -78.91 108.95 12.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 1.021 ' O ' HD12 ' A' ' 121' ' ' LEU . 4.0 pp -63.71 95.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.503 HD13 ' HB2' ' A' ' 16' ' ' PHE . 1.2 mt -103.84 120.83 41.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -170.12 34.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.461 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 35.0 t0 41.75 37.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 7.1 mt-10 -114.61 128.21 26.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.6 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.99 123.25 7.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -125.45 150.15 47.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.638 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 91.8 m95 -97.95 105.03 17.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.525 ' OH ' HD11 ' A' ' 121' ' ' LEU . 52.0 m-85 -95.02 120.96 36.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -60.45 143.59 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.48 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.1 mt -89.86 144.24 26.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -145.79 128.87 16.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.682 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -120.15 137.03 54.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.608 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 68.5 m -100.73 107.87 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.682 HD11 HD13 ' A' ' 10' ' ' LEU . 7.8 mt -120.9 123.84 71.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.513 ' CE ' HD21 ' A' ' 28' ' ' LEU . 3.6 ttmt -100.87 114.37 28.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.68 ' HB3' HD23 ' A' ' 122' ' ' LEU . 18.5 mt -105.19 154.85 19.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -158.44 147.14 18.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.42 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 28.9 t80 -112.97 115.33 28.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -91.62 79.81 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -17.63 30.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.3 t -55.15 -65.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.24 5.51 45.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.4 m170 64.15 57.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.405 ' HB3' HG23 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -126.59 136.6 52.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.841 ' HB2' HG11 ' A' ' 82' ' ' VAL . 18.8 tp -88.74 119.58 29.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.501 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.6 mp -95.31 141.85 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.537 HG13 ' HB2' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -153.89 105.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -102.36 118.97 38.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.895 HG13 HD11 ' A' ' 48' ' ' ILE . 49.5 mm -81.34 95.94 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 126' ' ' PRO . 11.6 mt -61.6 -97.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.573 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.43 164.71 33.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.51 162.01 13.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -154.16 163.56 39.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 59.21 46.04 13.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.657 ' NH2' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -116.51 86.38 18.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 160.8 39.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.779 ' O ' HD12 ' A' ' 96' ' ' LEU . 4.9 p90 -169.12 142.43 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.822 HG22 HD13 ' A' ' 96' ' ' LEU . 13.1 t -99.05 153.86 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -141.76 106.21 4.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.895 HD11 HG13 ' A' ' 27' ' ' ILE . 3.1 mt -91.74 152.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -154.85 98.58 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.628 ' CD1' HD21 ' A' ' 92' ' ' LEU . 53.6 t80 -65.27 99.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.401 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 35.2 mmt180 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 62' ' ' THR . 51.8 ttp180 -138.59 143.87 39.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.374 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.504 HG21 HG21 ' A' ' 27' ' ' ILE . 74.3 p -88.22 161.31 17.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.19 143.54 43.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.3 m -80.04 110.86 15.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 110.427 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.638 HG11 HG21 ' A' ' 68' ' ' THR . 1.1 t -78.84 142.46 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -117.42 127.5 54.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt 58.9 83.55 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.638 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -179.7 111.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.412 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.657 HD22 ' NH2' ' A' ' 42' ' ' ARG . 14.3 mt -72.97 -19.73 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.438 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 5.6 mt-10 -129.84 89.99 44.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.343 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.587 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.99 151.02 39.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.793 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -135.42 93.97 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.887 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.4 m-90 -87.98 -40.36 13.95 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER 38.97 33.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.564 ' O ' HG23 ' A' ' 26' ' ' THR . 0.8 OUTLIER -82.83 177.6 8.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 110.341 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.423 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 1.2 m -127.16 148.63 50.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.537 ' HB2' HG13 ' A' ' 25' ' ' VAL . 38.1 m-85 -149.12 125.2 10.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.405 HG23 ' HB3' ' A' ' 22' ' ' GLN . 4.5 mt -110.91 144.41 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.518 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 11.5 m-85 -136.19 111.68 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.514 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.15 161.08 40.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.514 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.1 Cg_endo -75.07 141.43 71.67 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.96 0.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.841 HG11 ' HB2' ' A' ' 23' ' ' LEU . 17.5 t -134.13 115.42 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 83' ' ' HIS . 0.9 OUTLIER -96.49 159.76 14.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 109.605 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.42 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 9.1 tpt180 -69.82 -33.87 72.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -17.95 54.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.34 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' ARG . 2.9 mm-40 -78.49 -15.14 58.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.407 ' CG ' ' HB3' ' A' ' 117' ' ' LEU . 6.9 m-30 -54.99 -50.82 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -65.39 -13.91 59.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -108.38 -4.06 17.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -142.91 120.6 11.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.403 ' CE ' HD23 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -120.98 148.54 43.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.631 HD23 HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -92.44 145.19 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.616 ' HG3' HD11 ' A' ' 114' ' ' LEU . 10.6 tt0 -131.71 91.99 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.447 ' H ' HD12 ' A' ' 94' ' ' ILE . 4.4 mp -86.1 149.14 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.791 HG22 ' HB2' ' A' ' 112' ' ' GLU . 1.3 p -141.34 145.5 35.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.822 HD13 HG22 ' A' ' 46' ' ' VAL . 28.9 tp -128.96 131.1 47.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -143.12 168.64 19.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 108.023 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' CG ' ' HB2' ' A' ' 42' ' ' ARG . 1.8 t0 -119.34 105.59 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.528 0.204 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 72.7 mt -69.41 -14.91 63.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.32 154.66 7.9 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.791 ' HB2' HG22 ' A' ' 95' ' ' THR . 1.1 pt-20 -111.15 147.66 34.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.653 HD11 ' CD2' ' A' ' 131' ' ' LEU . 71.9 mt -119.06 101.75 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.616 HD11 ' HG3' ' A' ' 93' ' ' GLU . 1.4 mp -93.47 145.18 24.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.605 HD11 HG22 ' A' ' 113' ' ' ILE . 2.1 mp -142.05 122.88 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 119' ' ' THR . 38.5 mt-10 -84.26 104.84 14.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.631 HD21 HD23 ' A' ' 92' ' ' LEU . 16.6 mt -40.22 -32.63 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.02 -50.28 69.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 116' ' ' GLU . 76.1 p -110.86 28.37 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -83.37 106.02 14.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -67.91 89.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.68 HD23 ' HB3' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -91.61 128.95 37.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -179.07 38.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.1 t70 41.17 38.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -110.6 121.05 42.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.584 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.93 122.1 7.02 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -126.36 156.54 40.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.564 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.608 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 98.9 m95 -102.23 107.48 18.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 107.993 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -99.62 107.2 19.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -54.82 148.96 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.68 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -85.31 161.08 19.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -147.16 126.34 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.275 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -113.78 137.21 51.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.583 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 72.3 m -99.58 110.85 23.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.586 HD11 HD13 ' A' ' 10' ' ' LEU . 5.6 mt -122.37 121.86 64.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.657 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.0 ttmt -100.83 114.88 29.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.483 HD23 ' HB ' ' A' ' 25' ' ' VAL . 9.2 mt -107.6 153.33 23.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.422 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 6.0 t-105 -158.2 132.52 8.12 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.432 ' HE1' HG12 ' A' ' 82' ' ' VAL . 40.8 t80 -97.87 118.33 34.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.01 77.92 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -17.94 18.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.4 t -57.84 -68.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.75 3.38 65.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 63.82 49.3 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 0.78 . . . . 0.0 109.607 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.31 142.73 50.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.931 ' HB2' HG11 ' A' ' 82' ' ' VAL . 32.0 tp -95.91 118.02 31.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.544 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.6 mp -92.89 131.01 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.483 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -143.55 106.79 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.864 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -104.4 125.39 50.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.882 HG22 ' CE3' ' A' ' 73' ' ' TRP . 42.8 mm -87.47 88.16 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.657 HD21 ' CE ' ' A' ' 13' ' ' LYS . 10.1 mt -51.45 -99.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 71' ' ' PRO . . . -157.49 162.17 31.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.687 ' HB1' HD11 ' A' ' 33' ' ' LEU . . . -99.1 160.42 14.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -153.92 165.93 34.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 46.86 44.65 14.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.767 HD22 ' O ' ' A' ' 69' ' ' LEU . 1.4 mp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.521 ' NH1' HD12 ' A' ' 69' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.469 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 6.2 m-20 -121.18 93.69 48.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.468 ' HG3' ' NH1' ' A' ' 42' ' ' ARG . 18.1 Cg_endo -75.01 167.37 27.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.585 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 9.7 p90 -178.26 122.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.803 HG22 HD13 ' A' ' 96' ' ' LEU . 21.4 t -73.62 161.35 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -150.13 112.19 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.5 HD11 HG13 ' A' ' 27' ' ' ILE . 1.8 mt -91.42 153.32 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -154.85 97.72 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -65.45 105.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.951 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.559 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 159.46 29.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.608 HG21 ' HB ' ' A' ' 27' ' ' ILE . 47.6 p -81.19 172.97 12.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -58.36 154.95 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.0 m -92.59 114.31 26.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -90.98 137.28 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 67' ' ' LYS . 11.1 mmtt -101.4 134.25 44.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 66' ' ' LYS . 4.3 mtpm? 41.77 92.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 68' ' ' THR . 0.7 OUTLIER -177.84 113.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.432 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.767 ' O ' HD22 ' A' ' 33' ' ' LEU . 2.2 mp -79.02 -17.79 54.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.412 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 3.1 mt-10 -125.94 80.27 67.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.677 ' HD2' ' HB3' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.01 142.96 28.46 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -128.32 96.04 4.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.882 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.8 m-90 -89.0 -41.37 12.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.423 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 40.39 35.09 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.864 ' O ' HG23 ' A' ' 26' ' ' THR . 1.9 mt-30 -83.21 -174.95 5.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.1 m -132.59 146.68 52.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.559 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 59.2 m-85 -149.65 113.06 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.8 mt -98.23 144.24 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.511 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 10.4 m-85 -135.57 112.6 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.35 160.26 42.75 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.976 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.5 Cg_endo -74.99 143.38 77.64 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.027 -0.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.931 HG11 ' HB2' ' A' ' 23' ' ' LEU . 24.1 t -136.39 106.15 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -93.97 165.67 12.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.64 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.5 tpt85 -73.81 -16.61 61.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.36 -12.43 27.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.3 mm-40 -86.35 -13.47 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 4.5 m-30 -57.84 -49.2 77.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.426 ' CB ' ' OE1' ' A' ' 118' ' ' GLU . 26.9 ptt180 -74.8 -4.49 38.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -106.58 -17.9 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.7 mpt_? -142.11 131.01 22.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.502 ' SD ' HD12 ' A' ' 114' ' ' LEU . 0.8 OUTLIER -119.2 155.51 31.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.705 HD12 HD21 ' A' ' 117' ' ' LEU . 6.6 mt -92.94 148.54 21.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.434 ' HG3' HD21 ' A' ' 114' ' ' LEU . 13.5 tt0 -134.17 92.11 2.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.692 ' N ' HD12 ' A' ' 94' ' ' ILE . 2.3 mp -95.9 140.25 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.564 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -143.72 150.31 38.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.378 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.803 HD13 HG22 ' A' ' 46' ' ' VAL . 16.2 tp -114.91 131.57 56.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.585 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -136.01 170.83 15.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 1.2 t0 -127.92 114.99 17.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.466 ' CD1' ' CZ3' ' A' ' 97' ' ' TRP . 52.0 t80 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.524 0.202 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.629 HD12 ' HG ' ' A' ' 96' ' ' LEU . 85.4 mt -75.97 -44.0 41.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.75 176.99 47.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.564 ' CB ' HG22 ' A' ' 95' ' ' THR . 1.0 OUTLIER -132.46 136.0 46.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 0.8 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.551 HD11 ' CD2' ' A' ' 131' ' ' LEU . 39.9 mt -120.92 103.42 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.502 HD12 ' SD ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -96.86 136.14 37.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.7 mt -137.17 120.55 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.488 ' CG ' ' HE3' ' A' ' 91' ' ' MET . 53.1 mt-10 -81.33 112.0 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.705 HD21 HD12 ' A' ' 92' ' ' LEU . 11.4 mt -44.88 -31.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.426 ' OE1' ' CB ' ' A' ' 88' ' ' ARG . 16.0 tt0 -57.68 -53.58 56.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 72.5 p -104.1 27.07 8.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.564 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -71.81 170.35 13.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.979 ' C ' HD13 ' A' ' 122' ' ' LEU . 5.8 mt -125.39 113.96 18.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.979 HD13 ' C ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -123.99 103.2 8.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -161.59 28.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.422 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 6.5 t0 49.18 41.97 20.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -120.15 126.14 26.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.499 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.95 125.79 9.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.547 1.814 . . . . 0.0 111.05 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -124.83 140.74 52.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.622 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.583 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 98.0 m95 -93.65 110.54 22.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -102.7 111.39 23.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -57.29 150.61 17.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.681 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -91.16 150.53 21.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 16.2 pt20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -141.95 151.76 42.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.124 HD23 HD11 ' A' ' 12' ' ' ILE . 23.0 tp -131.94 138.61 48.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.458 ' OG ' ' CH2' ' A' ' 128' ' ' TRP . 66.7 m -98.51 115.32 28.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 1.124 HD11 HD23 ' A' ' 10' ' ' LEU . 4.4 mt -126.81 122.78 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.542 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.0 ttmt -100.31 114.04 27.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.745 ' HB3' HD23 ' A' ' 122' ' ' LEU . 65.2 mt -103.01 147.84 26.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.605 ' CE3' ' CG ' ' A' ' 124' ' ' ASP . 5.4 t-105 -158.72 135.82 9.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 107.982 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.663 ' HB2' HD13 ' A' ' 122' ' ' LEU . 65.3 t80 -100.87 137.91 38.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.476 ' OD1' ' CG2' ' A' ' 19' ' ' VAL . 26.0 t70 -112.66 109.09 18.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.4 -27.02 16.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.755 HG23 ' H ' ' A' ' 20' ' ' GLY . 12.2 m -48.56 -64.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.755 ' H ' HG23 ' A' ' 19' ' ' VAL . . . -100.91 0.22 55.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 80' ' ' SER . 34.8 m170 67.7 71.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 109.585 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 17' ' ' ASP . 1.0 OUTLIER -144.61 163.51 33.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.843 ' HB2' HG11 ' A' ' 82' ' ' VAL . 53.8 tp -117.0 117.87 30.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.642 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.3 mp -89.24 127.18 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -130.44 104.26 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -106.0 126.2 51.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.379 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.95 HG22 ' CE3' ' A' ' 73' ' ' TRP . 35.2 mm -98.34 91.76 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 126' ' ' PRO . 10.9 mt -54.92 -100.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.56 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.07 166.12 35.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.584 ' HB2' ' CD1' ' A' ' 10' ' ' LEU . . . -103.18 174.39 5.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -159.86 171.78 18.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.35 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LYS . 26.0 m-20 40.53 44.8 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.705 HD21 HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.641 HH12 HD23 ' A' ' 33' ' ' LEU . 6.0 ptt85 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -113.82 91.69 22.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HG2' ' HG3' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -75.01 156.36 42.95 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.564 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.7 p90 -168.68 131.97 1.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.759 HG22 HD13 ' A' ' 96' ' ' LEU . 17.2 t -86.02 161.51 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CD ' ' CE2' ' A' ' 49' ' ' TYR . 1.3 ttmm -148.67 112.17 5.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.232 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.716 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.6 mt -91.9 149.04 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.503 ' CE2' ' CD ' ' A' ' 47' ' ' LYS . 0.9 OUTLIER -152.81 99.85 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.656 ' CD2' HD21 ' A' ' 92' ' ' LEU . 14.9 t80 -65.0 89.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.7 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.569 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 31.8 mmt180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.96 138.66 45.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.461 HG21 ' HB ' ' A' ' 27' ' ' ILE . 73.7 p -83.12 169.08 16.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.35 145.77 55.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.2 m -81.09 117.09 21.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.631 HG11 HG21 ' A' ' 68' ' ' THR . 0.4 OUTLIER -87.06 143.07 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -107.69 136.59 47.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt 40.72 87.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.631 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.72 110.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 63.3 mt -77.71 -16.96 58.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 4.4 mt-10 -124.26 80.25 59.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.614 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.0 Cg_endo -75.0 146.88 33.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -130.41 94.02 3.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.95 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.0 m-90 -87.89 -42.7 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 73' ' ' TRP . 1.7 m120 37.62 40.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 26' ' ' THR . 2.4 mm100 -87.93 177.88 6.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -132.02 133.45 44.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 23.6 m-85 -135.11 113.02 10.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.1 mt -95.22 128.71 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.54 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.3 OUTLIER -116.13 114.08 23.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.487 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.16 160.13 43.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.2 Cg_endo -75.03 143.37 77.58 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.028 -2.488 . . . . 0.0 110.954 0.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 23' ' ' LEU . 22.4 t -135.7 128.6 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -111.83 169.73 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.542 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.406 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 10.3 tpt180 -79.93 -34.84 38.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -11.02 59.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.456 ' OE1' ' NH1' ' A' ' 90' ' ' ARG . 1.8 mm-40 -85.51 -3.74 58.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 4.2 m-30 -67.43 -36.84 82.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.475 ' N ' ' OE1' ' A' ' 118' ' ' GLU . 1.4 ptt180 -84.54 38.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -149.62 -32.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.251 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.575 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 1.1 mpp_? -129.72 125.89 36.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.622 ' HE1' ' HB3' ' A' ' 114' ' ' LEU . 0.8 OUTLIER -115.87 153.27 31.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.989 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.656 HD21 ' CD2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -93.92 144.8 25.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.482 ' HG3' HD21 ' A' ' 114' ' ' LEU . 12.5 tt0 -134.08 92.84 3.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.648 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.6 mp -88.84 140.33 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.561 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -143.32 151.02 40.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.396 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.759 HD13 HG22 ' A' ' 46' ' ' VAL . 17.8 tp -113.86 137.41 51.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -143.76 165.51 27.46 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -121.03 129.07 53.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.347 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.598 ' CZ ' ' C ' ' A' ' 111' ' ' GLY . 38.7 t80 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.458 0.171 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.6 mt -85.93 -45.88 11.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.598 ' C ' ' CZ ' ' A' ' 109' ' ' PHE . . . -177.34 -169.4 38.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.561 ' CB ' HG22 ' A' ' 95' ' ' THR . 6.4 pt-20 -147.9 143.49 27.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.76 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.466 HD11 ' HG ' ' A' ' 131' ' ' LEU . 23.7 mt -128.88 109.43 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.622 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 0.1 OUTLIER -98.39 129.43 45.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.412 ' CD1' HG22 ' A' ' 113' ' ' ILE . 4.7 mt -137.43 123.94 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.587 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 2.0 mt-10 -89.6 126.05 35.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.57 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 20.2 mt -54.9 -39.42 68.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 88' ' ' ARG . 3.0 tp10 -57.0 -51.67 68.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.5 p -107.26 31.58 5.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 116' ' ' GLU . . . -77.95 157.07 29.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.8 mt -99.59 90.85 4.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.745 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.1 mt -105.22 118.34 36.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.454 ' C ' ' N ' ' A' ' 125' ' ' GLU . 3.8 t0 -176.03 36.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.605 ' CG ' ' CE3' ' A' ' 15' ' ' TRP . 11.0 m-20 38.75 31.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.478 ' O ' ' CE1' ' A' ' 127' ' ' HIS . 3.5 mt-10 -114.48 129.81 24.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.551 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 127.52 10.75 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' A' ' 125' ' ' GLU . 20.9 m80 -125.43 141.27 52.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.577 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 93.5 m95 -92.19 105.85 17.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 108.024 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 127' ' ' HIS . 43.0 m-85 -95.2 114.33 26.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -61.36 140.6 57.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.466 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -87.28 143.78 27.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -150.13 118.39 6.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.668 HD23 HD11 ' A' ' 12' ' ' ILE . 36.5 tp -103.93 141.62 35.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.592 ' OG ' ' CE3' ' A' ' 128' ' ' TRP . 71.6 m -106.53 114.06 27.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.037 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.668 HD11 HD23 ' A' ' 10' ' ' LEU . 4.8 mt -126.53 129.38 71.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.521 ' CE ' HD21 ' A' ' 28' ' ' LEU . 4.1 ttmt -104.96 114.58 28.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.7 mt -102.21 147.16 26.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.429 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 3.8 t-105 -157.85 140.17 14.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 108.016 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.422 ' CD1' ' HZ ' ' A' ' 87' ' ' PHE . 68.9 t80 -104.05 146.29 28.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.705 ' CG ' HG22 ' A' ' 19' ' ' VAL . 5.8 t0 -122.1 118.2 28.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 -20.82 20.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.831 HG23 ' H ' ' A' ' 20' ' ' GLY . 6.0 m -45.97 -68.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.831 ' H ' HG23 ' A' ' 19' ' ' VAL . . . -109.75 5.84 31.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 80' ' ' SER . 29.8 m80 67.11 68.56 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.536 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -130.06 160.24 34.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.688 ' HB2' HG11 ' A' ' 82' ' ' VAL . 25.1 tp -111.98 114.56 27.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.59 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.5 mp -84.32 132.88 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 t -138.04 103.24 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -106.34 118.24 36.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.436 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.898 HG13 HD11 ' A' ' 48' ' ' ILE . 35.1 mm -89.1 97.43 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 126' ' ' PRO . 12.7 mt -61.12 -100.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.58 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -163.15 160.08 32.63 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.656 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -92.84 175.44 6.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.599 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -159.96 162.78 34.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 52.13 50.9 17.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.656 HD21 ' HB1' ' A' ' 30' ' ' ALA . 29.4 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' NH1' ' OD2' ' A' ' 98' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 16.6 m-20 -115.21 89.01 19.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 169.09 23.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.584 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -179.18 127.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.764 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 6.6 t -87.74 159.15 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HD3' ' CE2' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -148.64 108.16 3.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.898 HD11 HG13 ' A' ' 27' ' ' ILE . 2.7 mt -92.36 153.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.506 ' O ' HD13 ' A' ' 51' ' ' LEU . 1.1 m-85 -154.91 98.11 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -61.58 96.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 49' ' ' TYR . 5.4 mp . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.539 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 41.5 mmt180 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -133.39 149.21 51.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.499 HG22 ' CE2' ' A' ' 77' ' ' PHE . 68.9 p -98.33 173.43 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 142.86 54.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.3 m -80.31 113.12 18.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.752 HG11 HG21 ' A' ' 68' ' ' THR . 1.5 t -79.14 146.91 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -120.37 130.67 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 mttp 49.8 88.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.752 HG21 HG11 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -176.96 114.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.5 mt -74.32 -20.05 60.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -130.25 89.82 43.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.401 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.4 Cg_endo -74.97 152.95 41.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -140.62 103.08 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.858 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.1 m-90 -95.61 -45.79 6.9 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER 40.66 37.43 0.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.406 ' O ' HG23 ' A' ' 26' ' ' THR . 2.7 mm100 -87.54 177.61 7.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 m -128.57 140.17 51.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.539 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 30.7 m-85 -143.27 114.76 8.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.5 mt -96.37 145.86 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.5 OUTLIER -135.45 111.0 9.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.488 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -147.81 160.27 38.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.985 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -75.02 143.97 79.45 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.984 0.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.688 HG11 ' HB2' ' A' ' 23' ' ' LEU . 4.3 t -129.23 128.58 66.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.579 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 21.7 m170 -105.14 170.28 7.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.599 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' HD2' ' CE2' ' A' ' 87' ' ' PHE . 1.0 OUTLIER -85.76 -33.48 21.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -1.19 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.295 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -91.44 -35.35 14.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 83' ' ' HIS . 13.7 m-30 -36.18 -31.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -65.24 -77.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -61.59 -21.41 64.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 87' ' ' PHE . 7.9 mpt_? -106.63 108.03 19.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.56 ' HE3' ' HG2' ' A' ' 116' ' ' GLU . 4.2 ttt -122.92 150.75 42.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.542 HD12 HD21 ' A' ' 117' ' ' LEU . 15.9 mt -92.49 147.52 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.519 ' HG3' HD21 ' A' ' 114' ' ' LEU . 7.2 tt0 -137.14 98.28 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 94' ' ' ILE . 2.8 mp -96.4 142.47 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.539 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -144.65 141.59 29.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.74 HD13 HG22 ' A' ' 46' ' ' VAL . 17.4 tp -110.43 137.97 47.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -144.39 165.9 26.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 108.042 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.444 ' OD2' ' NH1' ' A' ' 42' ' ' ARG . 1.6 t0 -125.67 112.29 15.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 21.3 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.5 0.19 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.718 HD12 ' HG ' ' A' ' 96' ' ' LEU . 60.8 mt -57.39 -39.44 76.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.554 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 167.42 -179.02 41.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.539 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.1 pt-20 -131.69 135.24 46.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 0.798 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.781 HD11 ' CD2' ' A' ' 131' ' ' LEU . 7.8 mt -120.35 105.64 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.525 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 0.2 OUTLIER -97.97 133.88 41.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.555 HD12 HD13 ' A' ' 94' ' ' ILE . 4.8 mt -136.91 120.72 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.56 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 4.2 mt-10 -87.16 121.15 29.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 92' ' ' LEU . 10.8 mt -45.3 -53.79 7.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.451 ' N ' ' HB3' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -45.82 -28.39 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' GLU . 1.5 p -122.61 28.69 7.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -92.91 107.01 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 1.006 ' O ' HD12 ' A' ' 121' ' ' LEU . 3.9 pp -64.14 99.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.66 124.95 45.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 125' ' ' GLU . 1.6 t0 176.12 39.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.429 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 29.5 t70 38.72 32.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 123' ' ' ASP . 5.0 mt-10 -107.6 121.27 44.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.597 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.97 122.95 7.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.457 1.767 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.84 139.7 53.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.573 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.599 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 84.6 m95 -87.52 122.5 31.32 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -113.25 115.44 28.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 11.2 mtmt -63.81 154.43 33.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.781 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -93.93 157.01 16.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.279 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -145.79 119.75 9.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 0.774 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.56 HD13 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -104.23 132.24 50.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 128' ' ' TRP . 6.5 t -95.6 127.2 41.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.56 HD11 HD13 ' A' ' 10' ' ' LEU . 15.9 mt -141.6 167.04 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.616 ' HB2' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -133.89 132.59 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.598 HD23 ' HB ' ' A' ' 25' ' ' VAL . 7.5 mt -128.04 149.99 50.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -157.42 155.22 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.695 ' HB2' HD13 ' A' ' 122' ' ' LEU . 45.0 t80 -120.08 122.71 41.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -101.86 93.03 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -20.85 65.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.5 t -51.54 -71.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.84 2.9 62.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 65.74 53.21 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 109.586 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.467 ' HB3' HG23 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -121.38 143.84 48.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.66 ' HB2' HG11 ' A' ' 82' ' ' VAL . 10.7 tp -97.33 115.12 27.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.557 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp -88.84 135.48 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.598 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -150.93 126.72 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.831 HG22 HD12 ' A' ' 28' ' ' LEU . 1.2 m -123.23 125.11 44.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.961 HG13 HD11 ' A' ' 48' ' ' ILE . 41.4 mm -85.79 86.31 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.858 HD21 ' HB3' ' A' ' 126' ' ' PRO . 0.2 OUTLIER -49.94 -99.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.62 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -164.32 159.59 32.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.571 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -93.57 169.84 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -157.39 167.27 30.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 50.59 49.06 21.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.571 HD21 ' HB1' ' A' ' 30' ' ' ALA . 20.1 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 28.2 m-20 -116.55 82.21 12.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 165.18 31.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.594 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.2 p90 -171.81 136.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.707 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 5.2 t -89.2 160.24 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -143.82 106.99 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.961 HD11 HG13 ' A' ' 27' ' ' ILE . 1.7 mt -91.67 150.58 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -154.59 102.64 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.506 ' CD1' HD21 ' A' ' 92' ' ' LEU . 48.0 t80 -74.28 92.19 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.516 HD11 ' CB ' ' A' ' 93' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -139.12 146.65 40.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.419 HG21 ' HB ' ' A' ' 27' ' ' ILE . 61.6 p -83.33 172.45 12.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.59 144.03 55.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.513 HG21 ' OE1' ' A' ' 99' ' ' GLN . 16.7 m -80.2 116.23 20.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.739 HG11 HG21 ' A' ' 68' ' ' THR . 1.4 t -79.39 148.09 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' LYS . 12.3 mmtt -113.15 123.31 49.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 66' ' ' LYS . 32.7 mtpt 48.14 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.739 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -177.97 114.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 69' ' ' LEU . 21.7 mt -73.84 -20.82 60.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -129.28 90.87 43.47 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.546 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.3 Cg_endo -75.0 152.9 41.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -140.36 103.12 4.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.883 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.3 m-90 -101.58 -47.7 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 108.021 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER 38.91 38.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.715 ' O ' HG23 ' A' ' 26' ' ' THR . 1.7 mm100 -80.03 177.07 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.515 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 20.8 m -117.23 140.75 49.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 110.368 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 30.0 m-85 -148.43 114.5 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 22' ' ' GLN . 5.1 mt -104.05 145.12 13.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 7.2 m-85 -135.08 110.93 9.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.66 160.43 41.28 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.0 142.49 74.91 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.97 0.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.66 HG11 ' HB2' ' A' ' 23' ' ' LEU . 11.2 t -132.68 117.5 30.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -105.41 157.33 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.61 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -67.84 -29.17 68.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -6.18 55.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.3 mm-40 -99.8 -12.45 19.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 3.7 m-30 -55.71 -53.93 50.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -64.02 -11.46 29.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -110.42 -1.63 16.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -144.88 122.06 11.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -126.44 148.96 49.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.704 HD23 HD21 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -93.75 143.66 26.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.516 ' CB ' HD11 ' A' ' 51' ' ' LEU . 21.8 tt0 -131.03 97.68 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.788 HD13 HD12 ' A' ' 115' ' ' ILE . 2.9 mp -97.21 131.01 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.71 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -129.67 148.96 51.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.499 HD13 HG22 ' A' ' 46' ' ' VAL . 20.2 tp -115.46 138.87 50.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.579 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 2.7 m95 -140.76 176.3 8.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 2.1 t0 -130.72 99.07 4.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.513 ' OE1' HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.61 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 39.4 t80 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.496 0.188 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 90.3 mt -80.16 -27.4 39.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.61 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 153.88 170.35 19.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.71 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.4 pt-20 -132.43 136.42 46.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.628 HD11 HD22 ' A' ' 131' ' ' LEU . 23.7 mt -117.5 121.98 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -107.24 135.74 48.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.788 HD12 HD13 ' A' ' 94' ' ' ILE . 7.8 mt -135.05 118.07 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.452 ' CG ' ' HE3' ' A' ' 91' ' ' MET . 39.2 mt-10 -88.49 113.6 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.704 HD21 HD23 ' A' ' 92' ' ' LEU . 17.5 mt -50.85 -29.13 11.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -53.69 -52.4 60.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.6 p -117.15 26.13 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -66.52 149.81 49.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.9 90.75 8.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.695 HD13 ' HB2' ' A' ' 16' ' ' PHE . 7.0 mt -106.43 106.96 17.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -171.71 34.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.8 t0 48.8 25.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -115.0 108.55 48.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.858 ' HB3' HD21 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.95 130.98 13.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -125.75 144.19 50.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.617 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.589 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 86.2 m95 -78.69 125.0 28.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.055 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.464 ' HB2' HD13 ' A' ' 113' ' ' ILE . 45.8 m-85 -112.04 129.94 56.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 2.7 mtmt -66.09 157.3 31.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.639 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -95.93 165.98 12.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -139.07 135.08 33.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.596 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -115.84 136.56 52.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.568 ' HB2' ' CH2' ' A' ' 128' ' ' TRP . 2.4 t -102.36 120.44 40.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.596 HD11 HD13 ' A' ' 10' ' ' LEU . 7.5 mt -132.7 131.72 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.771 ' CE ' HD21 ' A' ' 28' ' ' LEU . 2.4 ttmt -106.05 114.8 29.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.439 ' CD2' HG13 ' A' ' 25' ' ' VAL . 88.4 mt -105.35 145.27 30.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.41 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.6 t-105 -154.22 132.84 12.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.027 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.464 ' HE1' HG12 ' A' ' 82' ' ' VAL . 65.7 t80 -91.38 148.7 22.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.518 ' OD2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -122.56 112.32 17.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.92 -24.2 16.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.163 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.726 HG23 ' H ' ' A' ' 20' ' ' GLY . 13.3 m -50.24 -63.48 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.726 ' H ' HG23 ' A' ' 19' ' ' VAL . . . -104.25 1.54 43.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.485 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 89.1 m-70 68.03 62.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 0.788 . . . . 0.0 109.57 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -129.77 174.55 9.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.83 ' HB2' HG11 ' A' ' 82' ' ' VAL . 59.7 tp -127.57 115.17 18.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.687 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.3 mp -86.14 133.3 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.439 HG13 ' CD2' ' A' ' 14' ' ' LEU . 40.8 t -136.08 96.88 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.9 125.11 40.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.873 HG13 HD11 ' A' ' 48' ' ' ILE . 49.9 mm -96.93 91.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.771 HD21 ' CE ' ' A' ' 13' ' ' LYS . 15.4 mt -53.99 -100.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.582 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.35 170.26 35.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.441 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -107.47 164.2 12.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -157.44 151.65 24.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t0 73.73 42.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.441 HD21 ' HB1' ' A' ' 30' ' ' ALA . 19.4 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -116.18 90.42 28.88 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 162.05 37.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.584 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.9 p90 -173.38 131.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.867 HG22 HD13 ' A' ' 96' ' ' LEU . 19.7 t -86.32 162.15 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.401 ' N ' HG12 ' A' ' 46' ' ' VAL . 14.8 ttpt -149.18 110.36 4.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.873 HD11 HG13 ' A' ' 27' ' ' ILE . 3.3 mt -92.04 149.89 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -153.93 98.75 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.589 ' CZ ' HD11 ' A' ' 117' ' ' LEU . 0.8 OUTLIER -75.18 108.62 8.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.3 mmt-85 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.45 139.77 53.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.8 p -82.58 168.62 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.399 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 145.07 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.1 m -80.63 115.19 20.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.552 HG11 HG21 ' A' ' 68' ' ' THR . 0.6 OUTLIER -85.06 147.21 5.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -119.69 138.76 53.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt 44.59 85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.552 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.15 112.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.421 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mp -75.45 -19.61 59.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -128.12 87.39 55.6 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.4 Cg_endo -74.99 152.33 40.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -137.73 97.21 3.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.809 ' CZ2' HG23 ' A' ' 46' ' ' VAL . 4.6 m-90 -89.56 -43.35 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 107.996 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER 38.81 40.61 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.02 -176.77 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 m -137.17 130.16 30.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' VAL . 27.2 m-85 -131.39 113.6 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 12.3 mt -94.87 137.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.516 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.6 m-85 -127.2 113.87 16.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.516 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -145.59 161.28 41.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.516 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -75.0 144.64 81.59 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.958 0.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.83 HG11 ' HB2' ' A' ' 23' ' ' LEU . 24.8 t -137.37 121.53 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -110.29 160.76 16.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.615 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -77.05 -13.07 60.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.26 -5.88 42.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -97.33 -16.24 20.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.54 ' CD1' ' HB3' ' A' ' 117' ' ' LEU . 3.3 m-30 -50.56 -56.25 12.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -57.12 -16.23 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -114.6 25.24 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.643 ' HB3' HD12 ' A' ' 117' ' ' LEU . 3.2 mtt180 -160.07 145.85 15.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.493 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 1.1 ttt -145.8 141.27 27.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.7 mt -93.31 151.42 19.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.476 ' C ' HD12 ' A' ' 94' ' ' ILE . 18.9 tt0 -138.27 115.01 10.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.812 ' N ' HD12 ' A' ' 94' ' ' ILE . 1.9 mp -114.41 145.92 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.505 HG22 ' CB ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -145.56 143.49 29.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.867 HD13 HG22 ' A' ' 46' ' ' VAL . 17.7 tp -112.62 133.14 54.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -140.21 173.75 11.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 107.982 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.38 112.65 13.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 111' ' ' GLY . 55.1 t80 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.513 0.197 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.63 HD12 ' HG ' ' A' ' 96' ' ' LEU . 52.3 mt -77.3 -34.44 55.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.473 ' O ' ' CE1' ' A' ' 109' ' ' PHE . . . 169.57 -173.25 43.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.505 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.2 pt-20 -143.01 140.82 31.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 110.306 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.452 HD11 ' HG ' ' A' ' 131' ' ' LEU . 26.3 mt -125.72 116.09 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.493 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -107.55 134.3 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.7 mt -135.75 124.71 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 120' ' ' ALA . 20.3 mt-10 -89.7 125.67 35.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 90' ' ' ARG . 10.5 mt -54.65 -36.76 64.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -52.92 -51.54 60.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.1 p -107.14 26.15 10.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -71.04 165.43 23.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.998 ' C ' HD13 ' A' ' 122' ' ' LEU . 10.7 mt -124.39 112.39 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.998 HD13 ' C ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -125.05 87.84 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.44 32.26 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 48.29 35.63 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.087 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -116.44 123.1 31.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.739 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.96 124.28 8.53 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -123.45 134.75 53.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 11' ' ' SER . 90.3 m95 -88.34 106.47 18.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 107.983 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -90.86 142.1 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -76.26 145.58 39.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.452 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -93.7 140.71 29.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -128.45 137.87 52.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.496 HD23 ' H ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -119.23 140.39 50.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.496 ' H ' HD23 ' A' ' 10' ' ' LEU . 3.3 t -108.99 122.28 46.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.403 HD11 HD13 ' A' ' 10' ' ' LEU . 4.8 mt -132.28 132.94 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.816 ' CE ' HD21 ' A' ' 28' ' ' LEU . 4.8 ttmt -106.76 125.85 51.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.46 HD23 ' HB ' ' A' ' 25' ' ' VAL . 11.4 mt -119.34 149.26 42.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.474 ' CA ' ' HB3' ' A' ' 122' ' ' LEU . 4.3 t-105 -155.84 130.15 8.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.569 ' HE1' HG12 ' A' ' 82' ' ' VAL . 44.0 t80 -95.91 119.76 34.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' HIS . 1.0 OUTLIER -95.91 81.14 3.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -18.77 59.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.6 -71.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.41 1.67 82.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.455 ' CE1' ' CE1' ' A' ' 83' ' ' HIS . 30.2 m80 62.42 54.28 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.97 150.43 50.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.843 ' HB2' HG11 ' A' ' 82' ' ' VAL . 17.8 tp -101.35 117.98 36.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.581 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.5 mp -93.92 123.71 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.5 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -135.69 105.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -102.58 115.66 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.404 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.987 HG13 HD11 ' A' ' 48' ' ' ILE . 46.1 mm -78.6 96.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.816 HD21 ' CE ' ' A' ' 13' ' ' LYS . 16.7 mt -59.28 -100.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.503 ' HA2' ' CE3' ' A' ' 73' ' ' TRP . . . -162.61 159.32 31.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.424 1.077 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.861 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -95.91 163.05 13.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.562 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.13 168.58 26.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 48.21 40.04 13.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.861 HD21 ' HB1' ' A' ' 30' ' ' ALA . 56.3 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.494 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.712 HD22 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -113.41 83.48 6.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 18.4 Cg_endo -75.01 166.58 28.89 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.609 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 34.7 p90 -170.17 122.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.869 HG22 HD13 ' A' ' 96' ' ' LEU . 7.3 t -77.28 158.16 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 111.31 6.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.987 HD11 HG13 ' A' ' 27' ' ' ILE . 3.5 mt -91.53 146.63 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -154.73 98.64 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.637 ' CZ ' HD11 ' A' ' 117' ' ' LEU . 7.7 t80 -66.36 104.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.647 HD11 ' HB2' ' A' ' 93' ' ' GLU . 60.7 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.528 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 14.2 mmt180 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.91 137.75 54.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.264 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.471 HG21 HG21 ' A' ' 27' ' ' ILE . 80.5 p -81.44 168.47 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.72 144.97 56.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.618 HG21 ' OE1' ' A' ' 99' ' ' GLN . 2.0 m -80.97 115.24 20.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.969 HG11 HG21 ' A' ' 68' ' ' THR . 2.0 t -70.42 174.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.568 ' H ' HG12 ' A' ' 65' ' ' VAL . 13.7 mmtt -126.73 128.29 46.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.567 ' C ' ' O ' ' A' ' 66' ' ' LYS . 20.0 pttt 26.9 84.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.969 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -160.85 126.65 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 33' ' ' LEU . 96.3 mt -81.82 -23.51 36.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -120.22 84.1 33.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.833 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.2 Cg_endo -74.99 132.8 15.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -117.43 102.55 9.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.735 ' CE3' HG22 ' A' ' 27' ' ' ILE . 5.0 m-90 -97.4 -46.09 6.21 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER 40.11 38.04 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' ' 26' ' ' THR . 0.1 OUTLIER -85.57 -177.97 6.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.5 m -131.28 146.26 52.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.528 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 55.3 m-85 -148.14 113.43 5.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.1 mt -98.11 133.25 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.523 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.5 m-85 -125.8 111.92 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.514 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -145.92 161.08 41.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.514 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -74.97 142.43 74.74 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.029 -0.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 23' ' ' LEU . 15.7 t -134.38 104.72 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.455 ' CE1' ' CE1' ' A' ' 21' ' ' HIS . 17.7 m-70 -99.27 150.66 21.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.627 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -61.97 -13.04 21.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.97 -1.95 48.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -96.55 -30.48 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.337 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 7.4 m-30 -39.2 -33.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 89' ' ' GLU . 25.4 ttp85 -67.34 127.71 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 88' ' ' ARG . 37.2 mt-10 82.95 -45.47 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -83.98 107.4 16.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.788 ' CE ' HD12 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -119.66 161.1 21.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.897 HD12 HD21 ' A' ' 117' ' ' LEU . 2.5 mt -93.47 148.04 22.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.647 ' HB2' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -134.03 100.19 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.671 ' N ' HD12 ' A' ' 94' ' ' ILE . 1.9 mp -108.63 134.7 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.626 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -138.65 145.28 40.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.869 HD13 HG22 ' A' ' 46' ' ' VAL . 27.3 tp -111.3 131.35 55.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.482 ' CE2' ' HB ' ' A' ' 95' ' ' THR . 0.1 OUTLIER -139.53 167.75 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.016 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -118.55 114.82 23.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.618 ' OE1' HG21 ' A' ' 64' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 35.0 t80 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.515 0.198 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 110' ' ' LEU . 18.0 mt -82.51 -38.2 24.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.502 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 173.32 173.79 39.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.626 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.9 pt-20 -131.54 133.66 45.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.651 HD11 ' HG ' ' A' ' 131' ' ' LEU . 12.9 mt -122.67 109.75 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.788 HD12 ' CE ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -105.39 138.65 41.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.259 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.5 mp -136.72 126.77 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.471 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 37.1 mt-10 -87.25 118.74 26.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.897 HD21 HD12 ' A' ' 92' ' ' LEU . 14.8 mt -55.46 -33.0 63.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -55.62 -48.36 75.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.8 p -111.26 24.37 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.549 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -71.84 166.99 20.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.86 ' O ' HD12 ' A' ' 121' ' ' LEU . 2.3 pp -124.27 115.09 20.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.838 HD22 ' N ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -125.19 101.54 7.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -157.39 27.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.404 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 48.7 t0 55.07 44.08 28.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -120.87 121.88 28.68 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.693 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.02 124.09 8.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -123.55 144.81 49.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.565 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 93.8 m95 -99.03 104.96 17.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.019 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.604 ' OH ' HD11 ' A' ' 121' ' ' LEU . 86.4 m-85 -92.11 121.87 34.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -61.23 142.49 56.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.651 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -92.17 137.91 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.246 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -139.95 143.81 36.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.672 HD13 ' HB2' ' A' ' 30' ' ' ALA . 46.0 tp -129.56 141.28 51.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.595 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 75.4 m -105.56 109.81 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.04 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.641 HD11 HD23 ' A' ' 10' ' ' LEU . 6.2 mt -119.22 122.88 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.601 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.3 ttmt -103.09 114.47 28.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 19.6 mt -105.04 154.77 19.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.445 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 17.4 t-105 -158.39 156.81 31.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.011 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.61 ' HB2' HD13 ' A' ' 122' ' ' LEU . 25.0 t80 -123.68 122.95 39.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -100.88 80.0 2.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -17.06 16.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.4 t -57.89 -62.88 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.86 6.07 47.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.4 m80 60.49 57.93 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.566 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.62 133.53 47.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.777 ' HB2' HG11 ' A' ' 82' ' ' VAL . 8.7 tp -85.15 122.36 29.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.504 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.6 mp -96.74 133.52 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.466 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -145.69 107.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -104.48 130.98 52.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.448 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.021 HG22 ' CE3' ' A' ' 73' ' ' TRP . 50.4 mm -93.84 92.25 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.601 HD21 ' CE ' ' A' ' 13' ' ' LYS . 9.6 mt -56.44 -100.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.555 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -161.19 158.73 30.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.672 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -96.39 173.1 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -163.96 166.41 21.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 54.37 38.07 28.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.596 HD21 ' HB1' ' A' ' 30' ' ' ALA . 18.8 mt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -117.07 95.37 46.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 147.18 33.48 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.481 1.78 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.788 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -162.57 134.68 5.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.938 HG22 HD13 ' A' ' 96' ' ' LEU . 12.7 t -97.22 150.27 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -134.77 108.46 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.858 HD11 HG13 ' A' ' 27' ' ' ILE . 3.2 mt -90.9 150.84 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -155.01 98.44 2.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.713 ' CD2' HD21 ' A' ' 92' ' ' LEU . 40.1 t80 -74.66 117.36 16.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.499 ' HD2' ' CE1' ' A' ' 77' ' ' PHE . 9.4 mmt180 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.43 ' HG2' ' N ' ' A' ' 62' ' ' THR . 5.5 tmm_? -125.6 138.55 53.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.491 HG21 ' HB ' ' A' ' 27' ' ' ILE . 72.4 p -81.49 162.6 23.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -57.99 144.65 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.877 HG21 ' OE1' ' A' ' 99' ' ' GLN . 3.3 m -80.73 118.27 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.381 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.51 HG21 ' HB3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -88.6 134.71 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 67' ' ' LYS . 4.8 mttp -103.95 145.14 30.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 39.31 90.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 179.96 120.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.1 mt -85.98 -16.61 37.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.52 88.76 28.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.4 Cg_endo -75.0 -179.08 4.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.73 84.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 1.021 ' CE3' HG22 ' A' ' 27' ' ' ILE . 1.1 m-90 -77.28 -29.75 53.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.3 OUTLIER 35.22 36.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.695 ' O ' HG23 ' A' ' 26' ' ' THR . 3.6 mm-40 -83.86 177.14 8.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 m -128.93 140.66 51.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.499 ' CE1' ' HD2' ' A' ' 60' ' ' ARG . 27.4 m-85 -140.63 113.41 8.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.8 mt -96.94 144.94 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.485 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 12.3 m-85 -135.83 111.37 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.515 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.38 161.27 39.38 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.515 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.01 141.03 70.55 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.045 -0.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 23' ' ' LEU . 24.3 t -135.87 114.1 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -97.16 161.97 13.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.618 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -71.75 -40.79 69.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -6.49 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.24 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' OE1' ' NE ' ' A' ' 90' ' ' ARG . 1.8 mm-40 -92.52 -16.0 26.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -56.31 -33.59 65.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -89.83 4.98 48.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -105.07 -26.22 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 90' ' ' ARG . 0.5 OUTLIER -138.41 174.76 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.705 ' CE ' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -151.69 155.6 38.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.713 HD21 ' CD2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -92.29 154.3 18.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.649 ' HG3' HD11 ' A' ' 114' ' ' LEU . 19.4 tt0 -141.24 96.09 2.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.404 HD12 ' H ' ' A' ' 94' ' ' ILE . 4.5 mp -90.73 150.15 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.711 HG22 ' HB2' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -140.94 144.19 35.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.938 HD13 HG22 ' A' ' 46' ' ' VAL . 52.4 tp -131.26 137.3 48.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 0.0 OUTLIER -152.6 179.47 8.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 108.023 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -120.88 117.15 26.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.877 ' OE1' HG21 ' A' ' 64' ' ' THR . 2.1 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.462 ' CD1' ' CZ3' ' A' ' 97' ' ' TRP . 35.4 t80 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.539 0.209 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.1 mt -55.12 -25.53 32.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.42 ' O ' HD22 ' A' ' 131' ' ' LEU . . . 138.41 155.19 6.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.711 ' HB2' HG22 ' A' ' 95' ' ' THR . 1.0 OUTLIER -108.49 145.53 34.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.335 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.693 HG13 HD23 ' A' ' 131' ' ' LEU . 92.5 mt -115.99 101.45 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.705 HD23 ' CE ' ' A' ' 91' ' ' MET . 1.1 mp -92.81 147.07 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.535 HD11 HG22 ' A' ' 113' ' ' ILE . 2.0 mp -142.47 134.86 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.497 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 6.1 mt-10 -95.93 106.13 18.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.42 ' HA ' ' CB ' ' A' ' 120' ' ' ALA . 12.5 mt -41.42 -32.32 0.31 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -58.35 -54.04 51.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 33.6 p -102.02 22.51 12.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.451 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -75.36 132.44 40.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.57 88.04 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.61 HD13 ' HB2' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -89.33 121.69 31.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' ASP . 3.0 t0 -173.0 34.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' ASP . 25.5 t70 39.33 35.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.485 ' O ' ' CD2' ' A' ' 127' ' ' HIS . 6.8 mt-10 -109.96 128.89 24.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.487 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.04 122.89 7.47 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 73.8 m-70 -125.74 134.98 51.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.619 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.595 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 97.3 m95 -85.94 105.16 16.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 108.011 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 127' ' ' HIS . 33.2 m-85 -95.55 128.31 42.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.01 139.04 42.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.693 HD23 HG13 ' A' ' 113' ' ' ILE . 1.1 mt -85.41 156.32 20.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -137.76 132.41 32.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.565 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -117.52 137.99 52.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.454 ' H ' HD23 ' A' ' 10' ' ' LEU . 16.1 m -103.79 115.17 29.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.565 HD11 HD13 ' A' ' 10' ' ' LEU . 6.0 mt -125.45 128.78 72.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.599 ' CE ' HD21 ' A' ' 28' ' ' LEU . 3.3 ttmt -108.15 123.5 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.643 ' CB ' HD23 ' A' ' 122' ' ' LEU . 13.4 mt -115.18 153.65 30.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -158.14 145.32 17.99 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.779 ' HB2' HD13 ' A' ' 122' ' ' LEU . 22.3 t80 -106.42 133.15 51.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 21' ' ' HIS . 2.4 m-20 -113.36 84.08 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -18.85 42.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.8 t -52.84 -64.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.2 5.44 33.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' ASP . 15.5 m170 61.9 61.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.657 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.48 150.23 50.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.498 ' HB2' HG11 ' A' ' 82' ' ' VAL . 9.9 tp -99.09 116.89 32.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.7 mp -89.51 101.6 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.58 HG13 ' CD2' ' A' ' 14' ' ' LEU . 28.9 t -107.35 112.3 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.99 119.21 38.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.823 HG22 ' CE3' ' A' ' 73' ' ' TRP . 49.2 mm -88.6 91.58 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.632 HD11 ' HB3' ' A' ' 126' ' ' PRO . 16.9 mt -54.68 -98.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.558 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -157.88 171.19 34.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.36 155.14 25.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.566 ' CG ' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -144.05 165.46 27.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.416 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 72.0 m-20 55.26 54.59 8.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.49 HD22 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.72 ' NH1' HD21 ' A' ' 110' ' ' LEU . 1.1 ptp180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -115.55 88.66 20.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.86 43.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.567 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 2.0 p90 -170.53 124.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 1.025 HG22 HD13 ' A' ' 96' ' ' LEU . 44.5 t -78.04 163.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.456 ' N ' HG12 ' A' ' 46' ' ' VAL . 6.3 ttpt -149.23 116.66 6.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.777 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.4 mt -91.23 147.93 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -150.44 107.44 3.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -83.17 127.56 33.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.471 HD21 ' CB ' ' A' ' 93' ' ' GLU . 1.2 mm? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.529 ' HD2' ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 160.37 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.435 HG21 ' HB ' ' A' ' 27' ' ' ILE . 75.6 p -80.64 169.57 17.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.53 148.39 33.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.9 m -80.72 111.19 16.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.687 HG11 HG21 ' A' ' 68' ' ' THR . 1.0 OUTLIER -80.31 145.69 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -112.58 132.59 55.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm 43.47 91.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.687 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.36 112.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.424 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.49 ' O ' HD22 ' A' ' 33' ' ' LEU . 4.2 mm? -75.6 -19.28 59.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -126.96 86.06 59.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.479 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.99 145.43 31.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -131.55 96.35 3.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.823 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.0 m-90 -89.69 -43.88 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 107.981 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 41.31 35.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -86.4 -175.03 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -136.43 143.56 43.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.436 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.529 ' CE1' ' HD2' ' A' ' 60' ' ' ARG . 29.0 m-85 -138.87 113.34 8.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.4 mt -94.83 129.48 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.513 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 40.2 m-85 -124.48 111.79 16.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.544 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -145.39 162.53 36.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.04 141.8 72.82 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.977 0.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 17.3 t -134.5 108.0 10.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -96.81 166.82 11.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.577 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.463 ' HD2' ' CE2' ' A' ' 87' ' ' PHE . 1.5 tpt180 -79.62 -21.37 44.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.47 -8.61 59.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -93.59 -28.03 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 7.0 m-30 -40.44 -54.71 2.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.6 ttt85 -45.47 -53.63 8.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.44 44.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.432 ' C ' HD13 ' A' ' 117' ' ' LEU . 11.4 mtt180 -158.48 142.79 15.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.574 ' HA ' ' CD1' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -152.9 136.78 16.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.458 HD11 HD23 ' A' ' 23' ' ' LEU . 17.8 mt -92.35 137.53 32.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 9.5 tt0 -121.2 100.24 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.666 ' H ' HD12 ' A' ' 94' ' ' ILE . 1.8 mp -99.66 137.57 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.623 HG22 ' CB ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -138.58 145.96 41.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.364 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 1.025 HD13 HG22 ' A' ' 46' ' ' VAL . 21.3 tp -115.76 131.18 57.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.556 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 0.0 OUTLIER -140.58 175.06 9.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 108.045 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.83 97.19 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.493 ' HB2' ' CE3' ' A' ' 97' ' ' TRP . 73.8 t80 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.531 0.205 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.72 HD21 ' NH1' ' A' ' 42' ' ' ARG . 34.3 mt -92.24 -31.4 15.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 170.22 179.54 41.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.623 ' CB ' HG22 ' A' ' 95' ' ' THR . 4.0 pt-20 -139.56 144.18 37.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.288 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.614 HD11 ' HG ' ' A' ' 131' ' ' LEU . 18.3 mt -126.66 106.51 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.551 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 0.1 OUTLIER -94.12 132.66 38.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.4 mt -138.36 149.67 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 120' ' ' ALA . 8.2 mt-10 -114.86 141.36 48.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.707 ' N ' HD12 ' A' ' 117' ' ' LEU . 1.5 mp -80.28 -12.52 59.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -68.03 -31.98 72.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 82.4 p -125.81 -1.34 7.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 116' ' ' GLU . . . -43.01 135.09 3.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.04 87.05 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.779 HD13 ' HB2' ' A' ' 16' ' ' PHE . 4.3 mt -88.69 114.41 25.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -169.92 35.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.2 t0 40.91 35.77 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 127' ' ' HIS . 39.2 mt-10 -106.64 120.37 48.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.632 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.93 123.14 7.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 125' ' ' GLU . 53.9 m-70 -125.81 141.76 51.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.608 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.566 ' CZ3' ' CG ' ' A' ' 31' ' ' LYS . 80.6 m95 -86.95 105.35 17.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 107.996 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -90.43 125.21 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -72.06 144.31 48.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.614 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.1 mt -99.66 142.31 31.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.44 92.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 109.975 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.4 p -152.99 155.64 37.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.016 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.95 135.9 3.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -132.36 113.41 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 t -145.51 152.87 40.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 110.024 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.41 146.92 18.32 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.546 1.154 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.31 -122.74 4.76 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -141.99 146.4 35.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 0.78 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.848 HD13 ' HB2' ' A' ' 30' ' ' ALA . 45.5 tp -130.0 140.48 50.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.453 ' HB2' ' CH2' ' A' ' 128' ' ' TRP . 2.0 t -103.46 119.09 38.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mt -128.05 128.36 68.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.738 ' CE ' HD21 ' A' ' 28' ' ' LEU . 8.0 ttmt -100.89 114.21 27.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.472 ' HB3' HD23 ' A' ' 122' ' ' LEU . 74.8 mt -106.31 151.37 24.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.517 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 41.9 t-105 -158.61 153.65 25.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 107.985 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.449 ' CD1' ' CZ ' ' A' ' 87' ' ' PHE . 31.9 t80 -125.18 110.82 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.76 86.36 7.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -20.25 65.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 88.8 t -55.14 -72.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.79 4.05 81.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 31.4 m170 62.67 59.73 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.595 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -130.62 142.48 50.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.832 HD21 HD11 ' A' ' 92' ' ' LEU . 4.7 tp -94.21 121.29 35.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.523 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.5 mp -98.6 143.02 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.636 HG13 ' HB2' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -158.45 101.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.748 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -96.39 125.75 41.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.402 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.98 HG22 ' CE3' ' A' ' 73' ' ' TRP . 47.1 mm -88.36 91.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.738 HD21 ' CE ' ' A' ' 13' ' ' LYS . 13.6 mt -55.41 -99.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.589 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.88 166.88 35.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.848 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -104.91 164.77 11.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.562 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.32 167.65 29.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 51.22 44.56 28.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.621 HD21 ' HB1' ' A' ' 30' ' ' ALA . 19.0 mt -83.83 153.66 64.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 110.74 3.18 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.534 1.807 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.627 ' HB2' HD13 ' A' ' 69' ' ' LEU . 7.8 t -108.31 -168.32 1.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.971 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -102.97 -176.77 3.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 32.0 mt-10 -96.9 -88.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -106.96 56.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -136.09 -120.28 1.97 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -141.24 162.17 49.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.569 1.826 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' NH1' ' CD2' ' A' ' 110' ' ' LEU . 4.8 ptp180 -138.91 -178.92 5.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -114.34 92.17 26.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 149.84 37.54 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.004 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.597 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.2 p90 -162.55 133.43 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.705 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 3.5 t -88.15 162.56 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -149.62 108.06 3.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.868 HD11 HG13 ' A' ' 27' ' ' ILE . 3.3 mt -91.44 152.6 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 0.4 OUTLIER -153.54 98.18 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.463 ' HE1' HD11 ' A' ' 117' ' ' LEU . 55.3 t80 -70.78 98.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.53 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -70.12 156.35 91.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 -169.44 7.35 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.987 -2.505 . . . . 0.0 111.019 -0.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.458 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.1 t70 78.98 128.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.45 84.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.69 -51.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.976 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -179.67 -160.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.79 -82.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.162 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.8 p30 -94.7 36.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 7.7 ttpt -111.1 128.64 55.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 27.8 mmt180 -119.38 134.29 55.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -135.84 152.47 51.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.5 p -99.26 164.8 11.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 110.398 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -61.95 143.38 56.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.1 m -80.35 112.62 17.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.723 HG11 HG21 ' A' ' 68' ' ' THR . 1.3 t -79.23 142.8 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -109.31 135.86 49.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.1 mttt 41.05 89.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.723 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.08 111.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.427 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.627 HD13 ' HB2' ' A' ' 35' ' ' SER . 32.0 mt -76.25 -17.49 59.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 6.3 mt-10 -128.45 85.94 59.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.525 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.4 Cg_endo -74.97 159.98 40.79 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.808 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -145.56 93.08 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.98 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.9 m-90 -87.87 -42.69 12.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 107.987 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.5 OUTLIER 38.47 36.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.748 ' O ' HG23 ' A' ' 26' ' ' THR . 2.9 mm-40 -83.02 -174.87 5.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.549 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 16.0 m -132.43 143.72 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.636 ' HB2' HG13 ' A' ' 25' ' ' VAL . 23.9 m-85 -143.93 117.15 8.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.9 mt -107.61 131.06 58.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.52 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 8.8 m-85 -122.14 112.26 17.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.496 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.27 160.69 41.71 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.496 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.1 Cg_endo -75.02 141.25 71.18 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.975 0.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.818 HG11 ' HB2' ' A' ' 23' ' ' LEU . 16.0 t -134.1 120.81 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.46 ' CD2' ' N ' ' A' ' 83' ' ' HIS . 2.5 m170 -102.0 160.89 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.625 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 49.4 tpt85 -68.85 -35.33 76.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -20.36 59.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.092 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.4 mm-40 -71.65 -33.47 68.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.522 ' CG ' ' HB3' ' A' ' 117' ' ' LEU . 6.2 m-30 -43.05 -34.78 1.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -62.74 -43.82 97.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 86' ' ' GLU . 33.1 mt-10 -98.56 6.92 46.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -129.84 117.69 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.476 ' HE2' HD13 ' A' ' 114' ' ' LEU . 2.8 ttt -129.07 145.99 51.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.832 HD11 HD21 ' A' ' 23' ' ' LEU . 8.9 mt -92.8 151.95 19.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.508 ' HG3' HD21 ' A' ' 114' ' ' LEU . 14.6 tt0 -140.34 98.91 3.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.696 ' N ' HD12 ' A' ' 94' ' ' ILE . 1.6 mp -100.76 144.85 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.523 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -146.19 136.66 23.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.546 HD13 HG22 ' A' ' 46' ' ' VAL . 20.8 tp -104.87 129.79 53.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.582 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -134.8 -178.22 4.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.045 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 3.1 t0 -132.52 125.85 31.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.8 78.01 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.34 -82.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -57.48 177.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.0 p -121.84 148.35 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 45.58 47.63 11.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.48 -175.72 5.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -120.36 34.36 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.6 78.08 8.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.86 147.98 22.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.961 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 109' ' ' PHE . 8.5 pt-20 -101.68 -7.81 22.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 111' ' ' GLY . 48.5 t80 55.54 111.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.413 ' CD2' ' NH1' ' A' ' 42' ' ' ARG . 68.8 mt -88.69 -27.42 21.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.434 ' O ' ' CE1' ' A' ' 109' ' ' PHE . . . 166.65 -178.89 40.85 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.523 ' CB ' HG22 ' A' ' 95' ' ' THR . 1.7 pt-20 -138.38 137.89 37.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.458 HD11 ' HG ' ' A' ' 131' ' ' LEU . 25.3 mt -123.77 110.96 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.508 HD21 ' HG3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -104.22 132.51 50.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.559 HD12 HD13 ' A' ' 94' ' ' ILE . 4.2 mt -136.39 124.63 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 120' ' ' ALA . 18.1 mt-10 -92.19 115.29 27.95 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.57 HD21 HD12 ' A' ' 92' ' ' LEU . 26.3 mt -49.5 -30.35 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -56.43 -51.84 66.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.0 p -111.25 25.87 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 110.413 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.458 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -76.99 116.37 17.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.505 ' O ' HD13 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -70.95 90.0 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.472 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.4 mt -96.64 116.97 30.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.98 23.73 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.517 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 27.2 t70 47.97 45.8 19.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -132.71 150.59 76.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.49 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.96 124.5 8.69 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.564 1.823 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 129' ' ' TYR . 0.1 OUTLIER -126.0 135.15 51.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.596 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 96.7 m95 -95.69 113.76 25.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 107.991 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 127' ' ' HIS . 75.2 m-85 -105.34 111.82 24.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.94 147.98 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.458 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -93.06 142.1 27.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -111.59 128.71 56.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 54.7 p -120.95 82.09 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.42 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -156.93 101.08 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.631 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -49.41 152.36 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.4 m 66.69 110.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -128.8 169.01 20.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 166.49 29.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.42 127.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.58 158.98 11.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -121.04 91.71 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 0.761 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.43 93.95 0.22 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.99 166.31 0.48 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.53 132.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 p -147.11 162.14 39.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.84 161.01 26.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.9 -118.33 2.77 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -137.32 147.72 45.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.654 HD13 ' HB2' ' A' ' 30' ' ' ALA . 23.6 tp -128.53 142.47 51.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 m -103.24 115.88 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.22 123.08 61.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.645 ' CE ' HD21 ' A' ' 28' ' ' LEU . 7.0 ttmt -99.79 115.22 29.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.632 ' HB3' HD23 ' A' ' 122' ' ' LEU . 63.7 mt -108.42 148.78 29.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.434 ' CE3' ' HB3' ' A' ' 124' ' ' ASP . 37.0 t-105 -158.0 144.51 17.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 107.994 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.503 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 49.1 t80 -111.39 120.55 42.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -95.78 98.25 10.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.98 -21.25 61.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.3 t -51.66 -71.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.27 3.9 58.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 21.9 m170 64.45 59.78 0.97 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.757 . . . . 0.0 109.6 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.1 150.74 49.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.596 ' HB2' HG11 ' A' ' 82' ' ' VAL . 13.0 tp -100.41 119.54 38.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.54 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp -93.02 109.51 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.42 HG22 ' CD2' ' A' ' 14' ' ' LEU . 65.0 t -115.87 113.2 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -114.51 121.86 44.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.379 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.975 HG22 ' CE3' ' A' ' 73' ' ' TRP . 51.1 mm -91.32 93.16 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.645 HD21 ' CE ' ' A' ' 13' ' ' LYS . 11.6 mt -58.1 -98.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.57 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.93 166.26 35.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.654 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -96.79 173.83 7.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.597 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.23 142.92 18.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 59.37 68.81 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 2.2 mp -101.29 158.44 31.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.509 ' HG2' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.07 120.34 6.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.787 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.0 t -95.44 171.57 8.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.031 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -111.47 77.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 36' ' ' ARG . 3.4 mt-10 52.16 174.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -74.02 58.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -125.3 -82.49 0.49 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.536 1.147 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.2 mmt-85 -143.68 150.04 49.05 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.755 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.478 ' HG2' ' CB ' ' A' ' 67' ' ' LYS . 18.3 Cg_endo -74.98 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.538 1.809 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.422 ' NE ' ' O ' ' A' ' 34' ' ' PRO . 1.2 ptp180 -129.85 -173.9 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -116.31 86.24 17.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 149.33 36.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.443 1.759 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 2.7 p90 -161.33 135.25 6.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.714 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 8.4 t -90.27 159.34 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.628 ' CD ' ' CE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -149.31 110.87 4.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.672 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.6 mt -91.83 154.59 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.628 ' CE2' ' CD ' ' A' ' 47' ' ' LYS . 1.1 m-85 -154.68 98.68 2.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.477 ' CE2' ' HG2' ' A' ' 90' ' ' ARG . 26.4 t80 -68.3 96.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.502 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 4.4 mp -70.58 160.22 82.33 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.97 -171.62 9.63 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.052 -2.478 . . . . 0.0 110.986 -0.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.463 ' O ' ' CG ' ' A' ' 54' ' ' ARG . 8.4 m-20 60.24 166.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.545 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 4.9 mtm105 -160.67 94.88 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.69 175.41 10.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.22 -27.65 9.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.65 -54.43 33.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -129.7 59.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.47 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 2.0 ttpt -126.28 120.39 29.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.548 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 25.9 mmt180 -123.21 121.31 35.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 62' ' ' THR . 17.4 ttm180 -131.77 138.68 48.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.423 HG21 ' HB ' ' A' ' 27' ' ' ILE . 69.8 p -81.45 165.2 21.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.58 144.22 48.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.4 m -80.65 112.37 17.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.359 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.775 HG11 HG21 ' A' ' 68' ' ' THR . 1.4 t -79.55 144.88 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -116.93 129.41 56.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 18.9 mtpt 50.78 87.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.775 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -177.69 113.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.42 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 33' ' ' LEU . 54.2 mt -74.93 -19.46 60.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' HG3' ' HA ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -129.41 88.67 49.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 30' ' ' ALA . 18.3 Cg_endo -74.98 147.73 34.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -133.07 94.73 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.975 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.9 m-90 -88.38 -42.67 12.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 108.058 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER 38.31 37.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 26' ' ' THR . 2.4 mm100 -88.31 179.81 6.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.258 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -131.91 149.16 52.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.548 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 31.8 m-85 -146.44 113.6 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.7 mt -96.54 125.12 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.524 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.1 m-85 -119.18 112.55 19.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.955 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.521 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.35 161.4 38.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.521 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.0 141.51 71.98 Favored 'Cis proline' 0 C--N 1.359 1.114 0 C-N-CA 121.033 -2.486 . . . . 0.0 110.994 0.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.596 HG11 ' HB2' ' A' ' 23' ' ' LEU . 9.6 t -131.9 110.68 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.487 ' CD2' ' N ' ' A' ' 83' ' ' HIS . 2.5 m170 -90.72 163.03 14.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.627 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.503 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 9.6 tpt180 -74.37 -30.5 62.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -16.78 39.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.0 OUTLIER -77.6 -8.84 58.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.465 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 5.4 m-30 -60.3 -55.34 34.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -61.51 -14.73 31.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -102.23 -15.94 16.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.477 ' HG2' ' CE2' ' A' ' 50' ' ' PHE . 2.8 mpt_? -134.16 118.28 17.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.484 ' HE2' HD13 ' A' ' 114' ' ' LEU . 3.2 ttt -115.66 147.89 40.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.576 HD12 HD21 ' A' ' 117' ' ' LEU . 10.5 mt -92.44 152.18 19.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.461 ' HG3' HD21 ' A' ' 114' ' ' LEU . 13.1 tt0 -145.0 93.13 2.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 94' ' ' ILE . 2.8 mp -92.13 147.63 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.508 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -147.25 137.2 23.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.582 HD13 HG22 ' A' ' 46' ' ' VAL . 23.0 tp -103.84 132.83 49.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.579 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -139.54 170.6 15.62 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -121.7 120.07 33.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.43 82.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.94 179.25 6.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.1 163.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 99.4 t -93.09 -56.03 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.2 mtp-105 -110.29 58.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -173.91 176.79 2.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -94.11 -58.35 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 38.84 64.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.1 p -77.11 126.74 31.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.047 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -97.02 -7.65 32.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.569 ' CE1' ' O ' ' A' ' 111' ' ' GLY . 66.5 t80 51.51 102.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.509 HD22 ' HG2' ' A' ' 34' ' ' PRO . 68.5 mt -76.17 -31.66 58.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.569 ' O ' ' CE1' ' A' ' 109' ' ' PHE . . . 170.04 -167.87 40.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.508 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.7 pt-20 -145.45 144.34 30.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.52 HG13 HD23 ' A' ' 131' ' ' LEU . 80.4 mt -128.72 108.76 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.484 HD13 ' HE2' ' A' ' 91' ' ' MET . 0.1 OUTLIER -102.24 131.05 49.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.248 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.452 HD12 HD13 ' A' ' 94' ' ' ILE . 3.9 mt -136.94 123.95 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -91.17 108.89 20.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.576 HD21 HD12 ' A' ' 92' ' ' LEU . 11.9 mt -43.27 -33.0 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -54.18 -51.64 63.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.3 p -110.3 29.19 7.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.37 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -83.35 113.07 20.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.512 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -67.84 93.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.632 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.2 mt -97.27 117.93 32.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.401 ' CB ' ' OE2' ' A' ' 125' ' ' GLU . 0.2 OUTLIER -158.17 26.0 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.434 ' HB3' ' CE3' ' A' ' 15' ' ' TRP . 5.7 p-10 44.93 51.65 8.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 125' ' ' GLU . 0.2 OUTLIER -133.61 146.51 60.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.288 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.487 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 122.07 6.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 129' ' ' TYR . 0.4 OUTLIER -121.24 142.64 49.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.582 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.597 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 80.2 m95 -97.68 105.83 18.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 107.998 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 127' ' ' HIS . 47.6 m-85 -98.83 122.35 41.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -68.95 141.23 55.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.52 HD23 HG13 ' A' ' 113' ' ' ILE . 1.6 mt -82.91 148.94 27.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -117.83 122.42 43.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 73.0 p -108.56 89.83 3.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -175.7 131.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.604 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -80.44 112.59 17.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.6 t -171.89 149.58 2.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.29 169.21 21.56 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 74.45 4.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.6 143.83 25.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 75.6 m 59.11 105.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 p -46.56 163.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.016 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 m -165.16 -49.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.961 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.44 157.31 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.7 p -110.45 172.51 6.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 0.785 . . . . 0.0 110.027 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t -176.99 135.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 110.034 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.41 -177.62 19.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.15 -110.24 0.41 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -141.95 140.51 32.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 0.0 110.337 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.497 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -124.33 143.85 50.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.596 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 33.3 m -112.24 114.84 27.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.497 HD11 HD13 ' A' ' 10' ' ' LEU . 4.5 mt -125.63 128.23 72.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.665 ' CE ' HD21 ' A' ' 28' ' ' LEU . 4.3 ttmt -104.98 114.83 29.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 16.0 mt -108.08 153.29 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -158.28 152.2 23.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 108.027 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.632 ' HB2' HD13 ' A' ' 122' ' ' LEU . 32.1 t80 -121.03 119.88 33.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -95.45 91.16 6.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -19.98 66.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 93.1 t -54.92 -71.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.65 3.45 61.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.55 1.156 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 63.89 55.08 1.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.605 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.51 ' HB3' HG23 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -119.62 135.11 54.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.731 ' HB2' HG11 ' A' ' 82' ' ' VAL . 23.8 tp -89.4 119.15 29.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp -95.46 145.85 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.566 HG13 ' HB2' ' A' ' 77' ' ' PHE . 0.8 OUTLIER -160.51 97.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -95.71 126.22 40.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.422 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.765 HG22 ' CE3' ' A' ' 73' ' ' TRP . 40.1 mm -87.95 93.55 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.665 HD21 ' CE ' ' A' ' 13' ' ' LYS . 15.6 mt -56.35 -99.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.583 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -159.63 170.43 35.85 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 70' ' ' GLU . . . -111.59 162.09 15.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.585 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -144.73 157.38 44.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.03 73.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.962 HD22 ' O ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -110.79 156.31 40.88 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 112.51 3.58 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.47 1.774 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.811 ' CB ' HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -111.26 -33.14 6.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER 83.88 -15.65 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 6.2 mt-10 50.98 176.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 2.5 t0 82.63 -49.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.84 -119.97 4.69 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.492 ' HB2' ' HD2' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -131.06 161.74 59.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 110.273 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.492 ' HD2' ' HB2' ' A' ' 40' ' ' ARG . 18.2 Cg_endo -74.99 -174.67 2.02 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.568 ' NH1' HD21 ' A' ' 110' ' ' LEU . 3.7 ptp180 -112.34 -174.31 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 2.3 m-20 -112.35 94.94 29.01 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 165.17 31.88 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.464 1.771 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.4 p90 -177.5 124.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.741 HG22 HD13 ' A' ' 96' ' ' LEU . 7.9 t -83.93 158.55 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.539 ' CD ' ' CE2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -148.84 108.27 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.656 HD11 HG13 ' A' ' 27' ' ' ILE . 2.2 mt -92.0 159.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.55 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 1.5 m-85 -154.34 98.77 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.559 ' CZ ' ' HD2' ' A' ' 90' ' ' ARG . 47.7 t80 -68.56 89.67 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.538 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -55.82 156.67 9.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.07 -21.38 15.43 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.957 0.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -50.74 115.62 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.442 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 4.6 ttp180 -126.51 58.15 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.56 175.57 13.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.993 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 57' ' ' LYS . 4.1 p30 -47.79 173.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.343 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER 81.84 -62.54 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -105.82 20.99 18.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 2.8 ttmt -113.38 101.27 9.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -87.26 125.21 34.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -131.6 135.79 47.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.338 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.441 HG21 HG21 ' A' ' 27' ' ' ILE . 77.2 p -84.47 163.0 19.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -59.46 143.23 50.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -80.26 109.76 15.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.721 HG11 HG21 ' A' ' 68' ' ' THR . 1.1 t -79.75 141.61 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HD3' ' ND2' ' A' ' 43' ' ' ASN . 5.0 mmtp -113.4 134.4 54.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.48 ' CA ' ' HG2' ' A' ' 41' ' ' PRO . 9.4 mtpm? 47.66 85.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.721 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.78 114.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.962 ' O ' HD22 ' A' ' 33' ' ' LEU . 30.0 mt -78.87 -17.82 54.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 3.5 mt-10 -126.43 83.59 64.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.6 Cg_endo -74.96 146.21 32.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.431 1.753 . . . . 0.0 111.005 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -130.75 98.71 4.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.765 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.6 m-90 -91.91 -44.82 8.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 108.002 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.7 OUTLIER 40.27 37.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.849 ' O ' HG23 ' A' ' 26' ' ' THR . 2.5 mm100 -84.81 -177.67 6.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.443 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 2.2 m -130.9 146.75 52.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' HB2' HG13 ' A' ' 25' ' ' VAL . 30.4 m-85 -148.55 121.41 8.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.51 HG23 ' HB3' ' A' ' 22' ' ' GLN . 5.8 mt -108.94 144.48 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.529 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.1 m-85 -135.71 109.01 7.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.491 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.32 160.57 41.92 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.964 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -74.97 142.02 73.51 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.059 -0.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.731 HG11 ' HB2' ' A' ' 23' ' ' LEU . 14.0 t -133.76 112.31 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -88.85 170.04 11.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 109.624 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.545 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 8.4 tpt180 -80.55 -32.49 36.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -11.18 59.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -89.17 -5.35 57.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 90' ' ' ARG . 4.6 m-30 -63.77 -51.4 65.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -66.25 -15.11 62.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -99.16 -19.91 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.559 ' HD2' ' CZ ' ' A' ' 50' ' ' PHE . 22.7 mtt85 -128.13 120.96 28.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.561 ' HE3' ' HG2' ' A' ' 116' ' ' GLU . 3.1 ttt -119.09 149.96 40.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.516 HD11 HD21 ' A' ' 23' ' ' LEU . 10.5 mt -92.3 153.52 19.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.569 ' HG3' HD21 ' A' ' 114' ' ' LEU . 10.6 tt0 -141.21 96.44 2.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.575 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.2 mp -96.58 140.57 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.583 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.6 OUTLIER -143.5 142.29 31.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.741 HD13 HG22 ' A' ' 46' ' ' VAL . 21.1 tp -111.78 142.33 44.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.581 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.6 OUTLIER -145.94 -167.27 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 108.012 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -145.24 119.1 9.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.08 120.89 24.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -121.28 -175.91 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 48.75 -176.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 32.2 m -111.16 -36.63 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -110.61 -79.35 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.82 126.34 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -40.11 -60.55 1.03 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 40.22 54.22 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.89 117.47 30.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.67 127.01 39.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.527 ' CZ ' ' C ' ' A' ' 111' ' ' GLY . 75.5 t80 -77.7 125.61 29.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.649 ' O ' HG22 ' A' ' 133' ' ' THR . 84.0 mt -94.45 -38.4 10.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.527 ' C ' ' CZ ' ' A' ' 109' ' ' PHE . . . 175.56 -177.93 47.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.583 ' CB ' HG22 ' A' ' 95' ' ' THR . 1.5 pt-20 -144.67 131.4 20.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.486 HD11 ' HG ' ' A' ' 131' ' ' LEU . 34.6 mt -117.01 102.66 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.569 HD21 ' HG3' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -95.98 132.19 41.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.484 HD12 HD13 ' A' ' 94' ' ' ILE . 3.8 mt -137.51 136.1 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.561 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 3.4 mt-10 -103.86 123.38 47.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.514 HD13 HD22 ' A' ' 23' ' ' LEU . 11.9 mt -51.18 -29.17 13.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -50.82 -52.29 42.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.9 p -120.2 31.53 6.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.45 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -72.31 140.6 48.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.3 mt -77.98 89.24 4.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 16' ' ' PHE . 5.5 mt -104.05 107.26 18.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 124' ' ' ASP . 2.0 t0 -173.18 34.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 123' ' ' ASP . 19.6 t0 39.12 48.39 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 4.7 mt-10 -126.95 129.15 24.06 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.118 . . . . 0.0 110.233 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.588 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 123.13 7.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -126.13 132.64 51.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.573 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.596 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 90.0 m95 -81.81 105.69 13.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 107.978 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -92.02 132.45 36.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -71.85 141.71 49.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.486 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -90.59 140.21 29.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -102.16 117.27 34.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.649 HG22 ' O ' ' A' ' 110' ' ' LEU . 21.6 p -111.04 165.87 11.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -42.32 122.24 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.602 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.16 95.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -41.82 159.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -137.97 174.6 21.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -52.27 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.7 t -178.21 106.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.012 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.5 t 61.46 111.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 p -163.46 116.55 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.71 138.56 28.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.04 -162.39 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.48 1.112 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 p -164.93 81.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 0.793 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t 43.4 85.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.63 179.95 7.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.37 -125.23 3.91 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -129.12 138.65 51.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 110.26 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.552 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -117.14 138.72 51.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.58 ' OG ' ' CH2' ' A' ' 128' ' ' TRP . 31.1 m -101.28 113.09 25.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.552 HD11 HD13 ' A' ' 10' ' ' LEU . 7.1 mt -126.14 124.52 66.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.629 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.6 ttmt -104.39 116.46 32.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.691 ' CD2' HG22 ' A' ' 25' ' ' VAL . 21.4 mt -109.72 153.6 24.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 19.1 t-105 -158.45 154.7 27.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.004 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.551 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 37.8 t80 -119.99 120.89 37.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.16 86.79 3.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -18.71 58.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.097 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.0 t -55.15 -69.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.66 4.93 61.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 40.0 m80 59.61 60.15 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.628 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.506 ' CB ' HG23 ' A' ' 78' ' ' ILE . 1.2 mt-30 -129.92 153.84 47.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HB2' HG11 ' A' ' 82' ' ' VAL . 11.7 tp -101.89 115.89 31.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.513 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.6 mp -89.84 101.63 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.691 HG22 ' CD2' ' A' ' 14' ' ' LEU . 39.7 t -107.77 106.14 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -103.09 123.3 46.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.374 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.879 HG22 ' CE3' ' A' ' 73' ' ' TRP . 42.4 mm -94.4 91.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.629 HD21 ' CE ' ' A' ' 13' ' ' LYS . 15.0 mt -55.15 -100.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.579 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -159.73 165.91 34.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.49 155.75 18.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.556 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -145.12 165.49 28.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 52.29 54.26 11.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -94.96 155.28 39.27 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 133.98 17.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.49 ' HB3' ' CD1' ' A' ' 69' ' ' LEU . 87.1 p -124.41 -174.5 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 61.58 136.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 178.46 -68.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -127.21 36.62 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.67 23.92 76.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.145 . . . . 0.0 111.025 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -124.41 162.27 43.19 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.265 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.599 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 18.4 Cg_endo -74.96 -90.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.766 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.599 ' CG ' ' O ' ' A' ' 41' ' ' PRO . 0.2 OUTLIER 166.2 154.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 98' ' ' ASP . 70.0 m-20 -120.34 78.86 27.56 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.437 ' HG2' ' HG3' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -74.98 153.1 41.63 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.619 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 1.5 p90 -175.68 120.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.584 HG22 HD13 ' A' ' 96' ' ' LEU . 3.1 t -79.67 157.91 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 61' ' ' ARG . 2.9 ttmm -146.2 111.74 5.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.802 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.3 mt -90.62 134.24 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -138.07 98.13 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.441 ' CZ ' HD11 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -73.72 125.5 28.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.533 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -103.73 155.84 36.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.535 ' O ' ' CB ' ' A' ' 53' ' ' ASP . 18.4 Cg_endo -74.98 130.52 21.48 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.945 -2.523 . . . . 0.0 111.012 -0.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 6.0 m-20 153.21 98.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -109.76 37.27 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.78 -178.77 5.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 57' ' ' LYS . 3.5 m-20 -54.05 -178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER 86.52 -77.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.439 ' OD1' ' CE1' ' A' ' 79' ' ' TYR . 5.3 t-20 -93.69 24.44 4.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 1.9 ttpt -115.93 127.02 54.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.91 120.95 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.411 ' HB3' ' CG ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -123.17 162.3 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.324 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.544 HG21 ' CG2' ' A' ' 27' ' ' ILE . 45.3 p -82.87 164.3 20.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -59.31 146.48 39.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 38.0 m -81.02 115.14 20.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.437 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -91.47 135.58 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -113.68 136.03 53.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt 59.87 73.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 68' ' ' THR . 0.8 OUTLIER -176.8 114.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.559 ' O ' HD22 ' A' ' 33' ' ' LEU . 39.1 mt -81.39 -18.69 44.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.092 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.45 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.6 mt-10 -127.28 84.48 63.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.543 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.96 160.52 40.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -141.96 90.91 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.879 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.4 m-90 -84.58 -40.43 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 107.94 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.3 OUTLIER 36.97 34.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' TRP . 1.9 mm100 -86.82 -179.53 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 m -132.9 148.19 52.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.356 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -140.52 113.05 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.506 HG23 ' CB ' ' A' ' 22' ' ' GLN . 58.8 mt -95.35 111.92 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.468 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.4 OUTLIER -107.6 112.84 25.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.547 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -145.53 162.72 35.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.547 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.01 142.06 73.62 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.003 -0.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.555 HG11 ' HB2' ' A' ' 23' ' ' LEU . 24.3 t -136.81 105.29 4.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -91.03 165.19 13.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.562 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.551 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 9.6 tpt180 -78.8 -22.5 46.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.36 -1.42 55.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -102.01 -11.57 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.461 ' CE2' ' HD2' ' A' ' 84' ' ' ARG . 4.4 m-30 -60.39 -39.44 87.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -84.54 4.56 31.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' O ' ' NE ' ' A' ' 90' ' ' ARG . 32.8 mt-10 -124.35 4.61 8.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 0.3 OUTLIER -151.66 154.49 36.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 2.2 ttt -143.51 148.95 36.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.549 HD12 HD21 ' A' ' 117' ' ' LEU . 6.4 mt -93.01 148.63 21.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.418 ' HG3' HD21 ' A' ' 114' ' ' LEU . 12.2 tt0 -133.61 98.55 4.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.704 ' N ' HD12 ' A' ' 94' ' ' ILE . 2.2 mp -101.82 146.09 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.571 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -144.61 152.63 40.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.584 HD13 HG22 ' A' ' 46' ' ' VAL . 31.2 tp -116.25 130.74 56.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.567 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -133.96 169.36 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 108.01 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 43' ' ' ASN . 2.0 t0 -124.02 102.16 7.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.98 106.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.0 -175.01 4.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.425 ' CG ' ' HB2' ' A' ' 106' ' ' GLU . 2.7 mmm180 43.5 -162.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 110.338 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.1 m -124.25 170.75 14.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.3 mtt85 51.64 24.91 2.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 51.36 93.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -127.4 -60.27 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.425 ' HB2' ' CG ' ' A' ' 101' ' ' ARG . 0.6 OUTLIER -106.79 151.41 25.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 m -136.55 116.64 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.35 134.26 35.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 97' ' ' TRP . 13.2 t80 -84.03 125.45 32.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.0 mt -94.07 -57.43 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -159.36 176.57 36.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.571 ' CB ' HG22 ' A' ' 95' ' ' THR . 0.4 OUTLIER -135.71 144.78 46.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.564 HD11 ' HG ' ' A' ' 131' ' ' LEU . 17.0 mt -129.54 112.01 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.465 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -103.04 131.64 49.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.3 mt -136.62 125.06 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 120' ' ' ALA . 18.4 mt-10 -88.26 123.17 32.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.549 HD21 HD12 ' A' ' 92' ' ' LEU . 15.0 mt -53.0 -31.15 39.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -61.4 -50.79 71.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 65.3 p -102.68 22.24 14.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.449 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -74.11 102.5 4.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.472 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -64.78 87.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.2 mt -90.93 120.59 32.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -157.97 26.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.562 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 53.0 t0 41.32 39.66 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.64 149.34 64.91 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.485 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.01 124.32 8.53 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -126.1 131.17 52.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.608 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.58 ' CH2' ' OG ' ' A' ' 11' ' ' SER . 96.8 m95 -88.02 117.45 26.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 107.984 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.438 ' OH ' HD11 ' A' ' 121' ' ' LEU . 66.9 m-85 -107.45 115.25 29.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -58.05 142.23 47.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.564 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.9 OUTLIER -93.35 146.87 23.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -120.64 121.33 38.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.245 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 23.8 p -109.58 -53.81 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.403 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.8 57.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -59.72 163.99 4.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 9.9 p -179.21 117.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 125.78 175.48 14.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 165.97 30.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.791 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.1 t -150.25 103.44 3.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.9 118.89 22.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.19 166.88 7.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.75 119.01 16.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.58 148.28 11.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t -152.11 78.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 0.732 . . . . 0.0 110.033 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p -168.14 100.97 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.999 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.47 ' CA ' ' HB2' ' A' ' 131' ' ' LEU . . . -50.32 146.05 9.0 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . -89.79 -130.72 4.22 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -147.37 128.75 14.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.588 ' HB2' HD11 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -117.98 141.69 48.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.473 ' H ' HD23 ' A' ' 10' ' ' LEU . 66.1 m -105.42 111.17 23.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.483 HD11 HD13 ' A' ' 10' ' ' LEU . 5.2 mt -123.69 122.1 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.504 ' HE2' HD21 ' A' ' 28' ' ' LEU . 3.3 ttmt -103.96 114.83 29.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.629 ' CB ' HD23 ' A' ' 122' ' ' LEU . 12.2 mt -107.2 155.07 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.442 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 10.6 t-105 -157.29 147.4 20.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.408 ' HE1' HG12 ' A' ' 82' ' ' VAL . 46.8 t80 -117.26 128.09 54.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -106.04 91.69 3.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -20.35 66.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.0 t -50.53 -68.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.54 8.11 47.16 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.9 m80 60.62 53.31 4.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.573 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.412 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -121.74 118.9 30.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.919 ' HB2' HG11 ' A' ' 82' ' ' VAL . 0.5 OUTLIER -76.52 126.89 31.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.863 ' N ' HD22 ' A' ' 23' ' ' LEU . 1.7 mp -99.21 131.18 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.787 HG23 ' CD1' ' A' ' 23' ' ' LEU . 48.2 t -130.58 119.96 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.34 129.1 54.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 110.394 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.948 HG13 HD11 ' A' ' 48' ' ' ILE . 48.1 mm -101.51 88.43 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 126' ' ' PRO . 12.1 mt -52.1 -99.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.566 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.59 171.55 35.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.27 155.64 21.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.561 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -143.83 161.63 38.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 58.75 59.89 2.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.557 ' HG ' HD13 ' A' ' 110' ' ' LEU . 0.5 OUTLIER -100.39 163.57 17.97 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.543 ' CG ' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -74.99 123.21 7.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.789 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.887 ' CB ' HD21 ' A' ' 69' ' ' LEU . 5.9 p -130.36 -166.14 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.527 ' O ' ' CB ' ' A' ' 37' ' ' GLU . 2.5 mtm180 53.22 -174.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 36' ' ' ARG . 1.3 tt0 88.07 -73.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.56 -1.56 57.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.57 -56.4 4.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.145 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -78.45 157.53 77.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.499 ' HG2' ' CB ' ' A' ' 67' ' ' LYS . 18.2 Cg_endo -75.01 -95.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.512 ' NH1' HD21 ' A' ' 110' ' ' LEU . 2.4 ptp180 158.77 -179.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -117.2 86.03 20.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 138.84 23.5 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.603 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.7 p90 -150.98 131.88 14.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.597 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 13.0 t -83.65 163.1 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 4.2 ttpt -147.81 109.53 4.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.948 HD11 HG13 ' A' ' 27' ' ' ILE . 3.3 mt -90.65 152.07 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.618 ' O ' HD13 ' A' ' 51' ' ' LEU . 6.6 m-85 -151.77 98.48 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -67.31 92.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 49' ' ' TYR . 4.5 mp -73.89 154.8 88.96 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -74.97 133.0 29.42 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.981 -0.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 54' ' ' ARG . 4.1 t70 174.8 168.74 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.148 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' CB ' ' O ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER 160.02 72.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.1 -48.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 57' ' ' LYS . 0.4 OUTLIER 172.27 -175.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.253 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER 82.69 -76.06 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -92.38 19.22 7.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 4.0 ttmt -94.93 108.48 20.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.591 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -118.59 140.59 49.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.289 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 62' ' ' THR . 13.6 ttp180 -139.73 142.7 36.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.404 ' O ' ' HG2' ' A' ' 61' ' ' ARG . 59.9 p -81.22 162.82 23.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.409 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -57.28 141.77 45.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.9 m -80.09 111.06 16.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.405 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.786 HG11 HG21 ' A' ' 68' ' ' THR . 1.5 t -74.03 149.33 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -112.8 118.69 35.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.499 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 61.1 mtpt 50.19 97.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.786 HG21 HG11 ' A' ' 65' ' ' VAL . 0.9 OUTLIER -177.99 110.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.385 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.887 HD21 ' CB ' ' A' ' 35' ' ' SER . 2.1 mp -67.51 -23.35 65.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 4.5 mt-10 -128.11 90.67 46.7 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.576 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -75.01 145.21 31.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -131.49 96.32 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.682 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.4 m-90 -91.19 -47.9 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 108.019 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' ILE . 2.7 m120 40.4 48.63 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -93.47 179.46 5.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.264 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.6 m -125.65 146.37 49.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.432 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.591 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 59.2 m-85 -149.46 113.39 5.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.459 ' CG1' HG13 ' A' ' 24' ' ' ILE . 6.8 mt -103.07 140.61 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 59.3 m-85 -136.13 117.68 14.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.482 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -147.13 158.9 43.93 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.092 . . . . 0.0 110.021 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -74.95 142.08 73.69 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.026 -0.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.919 HG11 ' HB2' ' A' ' 23' ' ' LEU . 19.6 t -134.47 113.82 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -104.7 166.77 10.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -68.57 -50.47 51.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -12.25 28.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.5 mm-40 -84.72 -22.62 29.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.461 ' HB3' ' N ' ' A' ' 118' ' ' GLU . 11.1 m-30 -52.85 -55.87 19.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -15.77 13.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -102.34 -15.54 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.451 ' HG3' ' CD ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -138.73 119.19 13.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.48 ' CG ' ' N ' ' A' ' 92' ' ' LEU . 1.2 ttt -117.31 158.1 24.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.576 ' CD1' HD21 ' A' ' 117' ' ' LEU . 37.7 mt -96.72 148.55 22.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -135.66 91.78 2.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.609 HD13 HD12 ' A' ' 115' ' ' ILE . 3.4 mp -94.09 131.29 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.632 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -135.36 144.74 46.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.901 HD13 ' N ' ' A' ' 97' ' ' TRP . 0.7 OUTLIER -105.76 142.48 35.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.901 ' N ' HD13 ' A' ' 96' ' ' LEU . 1.1 m95 -149.63 144.23 26.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 108.005 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 1.0 OUTLIER -105.83 109.13 20.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.42 ' HG2' ' NE ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER -44.21 120.64 2.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.768 ' HB3' ' O ' ' A' ' 106' ' ' GLU . . . -131.39 -67.2 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.633 ' O ' HG22 ' A' ' 102' ' ' VAL . 2.1 mpt_? 63.36 178.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 101' ' ' ARG . 2.2 m 47.66 -175.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.69 -93.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -166.8 162.71 16.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 37.43 72.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.768 ' O ' ' HB3' ' A' ' 100' ' ' ALA . 1.3 mp0 -47.03 -69.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.79 107.08 8.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -75.79 -17.65 59.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 110.287 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.599 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 65.0 t80 56.2 114.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.659 HD12 ' CD1' ' A' ' 96' ' ' LEU . 54.1 mt -87.78 -16.89 32.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.599 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 150.65 169.22 16.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.632 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.7 pt-20 -124.54 136.21 53.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.588 HD11 ' HB2' ' A' ' 10' ' ' LEU . 59.2 mt -118.09 104.85 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -93.58 134.63 35.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.609 HD12 HD13 ' A' ' 94' ' ' ILE . 4.8 mt -136.89 118.88 19.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.47 ' CG ' ' HE3' ' A' ' 91' ' ' MET . 41.8 mt-10 -87.64 115.29 24.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.326 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.576 HD21 ' CD1' ' A' ' 92' ' ' LEU . 17.2 mt -48.99 -29.78 5.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.461 ' N ' ' HB3' ' A' ' 87' ' ' PHE . 7.1 tt0 -51.49 -53.79 33.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 8.4 p -118.04 30.95 6.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.437 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -71.9 140.88 49.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 19.2 mt -79.44 89.45 5.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.629 HD23 ' CB ' ' A' ' 14' ' ' LEU . 5.0 mt -101.99 111.34 23.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 124' ' ' ASP . 2.7 t0 -177.07 36.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.442 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 5.5 t0 39.25 33.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 10.7 mt-10 -108.89 127.73 26.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.507 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.96 124.02 8.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -125.72 147.09 49.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.613 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.561 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 93.6 m95 -97.73 107.73 20.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 107.977 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -101.15 104.64 15.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -50.74 151.93 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.693 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -91.94 157.53 16.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 12.1 pt20 -128.12 113.38 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 40.5 p -101.33 143.34 31.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 50.93 98.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.543 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.03 123.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.51 168.23 20.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.987 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -159.42 169.36 35.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.28 6.01 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.52 94.93 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 77.2 p -67.21 168.59 10.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 63.9 155.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 110.01 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -177.83 129.16 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.968 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.35 141.0 3.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p -128.78 75.88 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 m -138.87 113.73 9.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.487 ' CA ' ' HB2' ' A' ' 131' ' ' LEU . . . -79.47 148.64 31.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . -101.55 -135.19 8.76 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.413 ' HG2' ' CG ' ' A' ' 130' ' ' LYS . 33.6 mt-30 -147.11 124.36 11.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.864 HD13 ' HB2' ' A' ' 30' ' ' ALA . 33.9 tp -114.56 141.33 47.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 128' ' ' TRP . 3.9 t -103.09 120.72 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mt -129.75 130.16 66.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.574 ' CE ' HD21 ' A' ' 28' ' ' LEU . 3.1 ttmt -106.77 115.38 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.605 ' CB ' HD23 ' A' ' 122' ' ' LEU . 12.7 mt -110.26 152.93 25.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.77 ' O ' HD22 ' A' ' 23' ' ' LEU . 9.0 t-105 -158.31 159.22 35.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.535 ' HB2' HD13 ' A' ' 122' ' ' LEU . 54.2 t80 -125.98 128.31 47.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.406 ' HB3' ' OE1' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -113.59 88.67 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -20.6 63.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.0 t -52.92 -74.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.533 ' CA ' ' OE1' ' A' ' 22' ' ' GLN . . . -88.99 2.45 84.06 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 30.7 m80 61.66 39.13 14.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.536 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -118.83 119.35 34.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.933 ' C ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.29 142.27 48.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.138 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.75 HD12 ' C ' ' A' ' 23' ' ' LEU . 1.5 mp -111.17 129.32 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.739 HG12 ' CD1' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -145.93 99.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.83 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -97.82 137.3 36.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.912 HG13 HD11 ' A' ' 48' ' ' ILE . 46.0 mm -98.26 93.31 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.691 HD11 ' HB3' ' A' ' 126' ' ' PRO . 16.2 mt -56.69 -100.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.561 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.92 172.05 35.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.864 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -105.78 170.61 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -160.34 158.5 29.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 54.37 37.29 27.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.863 HD21 HD21 ' A' ' 96' ' ' LEU . 3.2 mp -76.85 145.69 74.75 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 100.09 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.56 ' HB3' HD21 ' A' ' 69' ' ' LEU . 2.0 p -59.38 -167.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.033 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.28 159.54 15.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -63.53 -56.89 12.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.314 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.85 -38.11 2.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.44 -56.98 0.73 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -40.25 158.13 0.15 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.418 ' HG2' ' CG ' ' A' ' 67' ' ' LYS . 18.4 Cg_endo -74.94 -160.63 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.751 ' NH2' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -149.72 -169.49 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -122.83 85.87 50.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HG3' ' NH2' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -75.0 156.43 43.0 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.7 p90 -161.13 130.97 4.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.77 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 4.9 t -87.36 155.8 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -147.0 109.55 4.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.912 HD11 HG13 ' A' ' 27' ' ' ILE . 3.5 mt -91.5 149.87 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.549 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -152.02 102.2 2.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.643 ' CE1' HD11 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -72.38 102.76 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.513 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -69.61 158.94 85.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.5 Cg_endo -75.0 -13.75 23.45 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.009 0.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -40.23 109.43 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.234 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -136.91 73.47 1.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.74 -46.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -179.39 -156.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.2 mttt 67.37 -81.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -94.09 44.46 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.549 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 3.5 ttpt -125.23 112.41 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.584 ' HG2' ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -123.82 148.34 46.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 62' ' ' THR . 6.9 ttm180 -138.43 142.21 39.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 110.331 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.413 ' N ' ' HG2' ' A' ' 61' ' ' ARG . 28.1 p -81.93 160.05 23.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.98 144.62 44.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.9 m -80.53 109.32 14.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.695 HG11 HG21 ' A' ' 68' ' ' THR . 1.4 t -76.69 146.19 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -113.56 132.93 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.418 ' CG ' ' HG2' ' A' ' 41' ' ' PRO . 6.6 mtmt 44.22 90.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.695 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -179.16 111.97 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.379 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.56 HD21 ' HB3' ' A' ' 35' ' ' SER . 5.7 mp -74.03 -19.1 60.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.446 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.8 mt-10 -129.31 89.3 48.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.591 ' HD2' ' HB3' ' A' ' 30' ' ' ALA . 18.2 Cg_endo -74.98 149.9 37.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -135.0 94.43 3.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.834 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.3 m-90 -89.24 -41.26 12.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 107.987 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.7 OUTLIER 38.31 36.48 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.83 ' O ' HG23 ' A' ' 26' ' ' THR . 2.0 mm100 -85.27 174.18 9.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.464 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 5.8 m -123.22 147.63 46.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.584 ' CE1' ' HG2' ' A' ' 60' ' ' ARG . 28.2 m-85 -146.35 113.21 6.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.495 HG23 ' CB ' ' A' ' 22' ' ' GLN . 11.1 mt -102.35 138.19 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.598 ' HD2' HD12 ' A' ' 23' ' ' LEU . 44.6 m-85 -132.76 120.35 21.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.491 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.97 157.58 46.4 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -74.96 138.76 57.92 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.042 -0.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.838 HG11 ' HB2' ' A' ' 23' ' ' LEU . 19.7 t -133.27 108.96 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -103.0 168.67 9.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.617 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -80.33 -14.1 58.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.282 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -6.29 49.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.63 -36.67 14.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.245 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.514 ' CG ' ' HB3' ' A' ' 117' ' ' LEU . 11.9 m-30 -38.12 -52.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -42.32 -48.48 5.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -103.39 26.04 8.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -151.01 114.76 4.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -125.55 149.76 48.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.827 HD12 HD21 ' A' ' 117' ' ' LEU . 9.1 mt -95.04 146.95 23.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.436 ' HG3' HD21 ' A' ' 114' ' ' LEU . 9.4 tt0 -130.09 108.38 10.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.633 ' N ' HD12 ' A' ' 94' ' ' ILE . 3.0 mp -108.0 137.94 36.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.674 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -138.56 146.14 41.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.863 HD21 HD21 ' A' ' 33' ' ' LEU . 19.2 tp -117.92 134.61 54.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -139.19 163.43 32.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 107.987 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 100' ' ' ALA . 0.5 OUTLIER -120.31 107.65 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.19 81.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 98' ' ' ASP . . . -74.33 179.74 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 100' ' ' ALA . 17.9 mmm180 61.11 135.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.522 HG22 ' HD2' ' A' ' 103' ' ' ARG . 4.2 p -50.36 -55.42 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.522 ' HD2' HG22 ' A' ' 102' ' ' VAL . 4.2 mtt-85 -141.43 88.89 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.9 147.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -82.06 85.39 6.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 110.286 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.34 73.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.2 m -79.21 136.17 37.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 109' ' ' PHE . 5.9 pt-20 -101.38 9.77 41.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 108' ' ' GLU . 87.9 t80 39.22 93.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.3 mt -68.99 -20.55 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 149.34 -172.35 29.39 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.537 1.148 . . . . 0.0 110.956 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.674 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.3 pt-20 -144.63 134.71 24.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.79 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.625 HD11 ' CD2' ' A' ' 131' ' ' LEU . 48.6 mt -116.23 114.8 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.462 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.2 OUTLIER -105.89 136.09 46.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.474 HD12 HD13 ' A' ' 94' ' ' ILE . 3.9 mt -137.37 125.47 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 120' ' ' ALA . 25.4 mt-10 -88.61 120.7 30.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.827 HD21 HD12 ' A' ' 92' ' ' LEU . 11.5 mt -55.87 -29.12 59.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.45 ' N ' ' HB3' ' A' ' 87' ' ' PHE . 2.7 tt0 -55.92 -52.47 64.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.7 p -112.92 26.68 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -72.17 140.93 49.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 98.7 mt -83.88 90.31 7.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.605 HD23 ' CB ' ' A' ' 14' ' ' LEU . 10.5 mt -102.53 103.1 13.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -161.78 31.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 27.0 t0 47.34 27.68 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -105.82 121.78 44.7 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.691 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 125.23 9.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.469 1.773 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -119.4 173.56 6.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.569 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.563 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 88.7 m95 -121.6 107.36 12.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 108.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -100.34 115.53 30.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 13.4 mtmt -63.64 156.72 25.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.674 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -92.13 161.47 14.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -128.29 114.94 17.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.329 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 51.7 p -111.33 -60.02 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.428 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.43 148.82 40.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.621 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.52 106.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 m -77.03 159.72 29.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -110.17 168.53 13.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 177.1 9.02 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.58 -58.57 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.84 155.4 20.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.952 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.18 152.82 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 p 57.89 165.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.947 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.91 139.45 5.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.12 80.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -167.06 148.35 5.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.46 153.38 23.13 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.572 1.17 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.25 -131.51 5.23 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -131.36 139.12 49.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 0.729 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.529 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -122.46 141.32 51.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.505 ' HB3' ' CE3' ' A' ' 128' ' ' TRP . 79.0 p -110.49 115.72 30.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.529 HD11 HD13 ' A' ' 10' ' ' LEU . 6.2 mt -126.71 129.02 71.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.65 ' CE ' HD21 ' A' ' 28' ' ' LEU . 4.1 ttmt -104.33 121.98 44.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 14.9 mt -114.36 153.29 30.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -158.3 150.88 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.475 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 12.1 t80 -115.55 127.73 55.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.4 81.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.68 -18.34 30.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.56 -72.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.42 9.06 64.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.7 m80 59.64 63.3 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.631 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.71 143.33 49.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.855 ' HB2' HG11 ' A' ' 82' ' ' VAL . 20.2 tp -96.09 117.61 31.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.597 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp -93.03 124.76 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.47 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -136.42 107.85 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.873 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.2 m -105.19 122.77 46.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.819 HG13 HD11 ' A' ' 48' ' ' ILE . 44.5 mm -86.38 96.68 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.65 HD21 ' CE ' ' A' ' 13' ' ' LYS . 15.8 mt -59.05 -100.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.575 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -161.0 161.04 32.58 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' O ' ' HA ' ' A' ' 70' ' ' GLU . . . -98.64 159.58 14.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.53 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -155.3 164.44 38.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 59.53 27.49 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -57.78 158.49 12.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 35' ' ' SER . 18.2 Cg_endo -75.02 -26.27 11.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.779 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.71 ' HB2' HD13 ' A' ' 69' ' ' LEU . 46.7 t 37.24 -151.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.947 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.469 ' N ' ' OG ' ' A' ' 35' ' ' SER . 0.0 OUTLIER 59.02 151.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.93 -77.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -130.6 23.89 5.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.34 -49.48 0.84 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -74.49 168.98 21.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.487 0.757 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 18.4 Cg_endo -74.97 -94.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.569 1.826 . . . . 0.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 41' ' ' PRO . 1.4 ptp180 156.81 177.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -120.57 88.37 42.93 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.76 42.88 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.47 1.773 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.606 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 19.3 p90 -167.36 123.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.718 HG22 HD13 ' A' ' 96' ' ' LEU . 4.4 t -81.09 154.09 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -144.13 110.81 5.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.819 HD11 HG13 ' A' ' 27' ' ' ILE . 3.3 mt -92.0 157.95 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 6.0 m-85 -154.71 99.19 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CD1' HD21 ' A' ' 92' ' ' LEU . 42.6 t80 -66.25 87.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.515 ' CB ' ' HA ' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -55.17 161.62 2.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.515 ' HA ' ' CB ' ' A' ' 51' ' ' LEU . 18.5 Cg_endo -74.95 -22.5 13.84 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.994 -2.502 . . . . 0.0 110.993 -0.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -41.49 140.81 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -168.59 91.56 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.06 -48.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 58' ' ' ASN . 10.4 t0 176.4 -170.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 mttp 68.91 -68.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.7 p-10 -90.4 16.82 8.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 8.0 ttmt -89.39 116.9 27.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.453 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 19.3 mmt180 -113.34 120.61 41.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HB3' ' NH1' ' A' ' 61' ' ' ARG . 18.8 ttp-105 -135.06 140.71 45.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.495 HG21 HG21 ' A' ' 27' ' ' ILE . 41.4 p -82.76 170.85 14.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -69.96 144.51 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.9 m -80.11 112.98 17.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.753 HG11 HG21 ' A' ' 68' ' ' THR . 1.4 t -79.22 152.27 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 67' ' ' LYS . 12.8 mmtt -113.11 126.09 55.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.48 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 3.0 mttp 44.33 93.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.753 HG21 HG11 ' A' ' 65' ' ' VAL . 1.4 t -176.47 117.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 35' ' ' SER . 2.8 mt -78.75 -20.26 50.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 7.7 mt-10 -126.29 83.73 63.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.554 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.5 Cg_endo -74.98 133.34 16.5 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.555 1.818 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -117.41 99.17 6.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.745 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.8 m-90 -92.24 -42.4 9.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 108.038 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.4 OUTLIER 38.02 36.14 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.873 ' O ' HG23 ' A' ' 26' ' ' THR . 2.1 mm100 -85.69 173.81 9.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.413 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 1.4 m -125.71 145.81 50.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.453 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 35.7 m-85 -146.71 114.32 6.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.8 mt -98.09 136.84 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.504 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.2 m-85 -126.63 111.83 14.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.506 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -146.1 160.95 41.45 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.5 Cg_endo -74.96 141.14 70.89 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.051 -2.479 . . . . 0.0 111.016 -0.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.855 HG11 ' HB2' ' A' ' 23' ' ' LEU . 19.9 t -135.17 115.49 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -99.77 156.32 17.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.583 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.475 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 3.9 tpt180 -70.31 -20.55 63.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.407 ' NE ' ' HG2' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -87.72 -12.01 46.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.407 ' HG2' ' NE ' ' A' ' 85' ' ' ARG . 1.6 mm-40 -91.91 -3.86 55.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -64.02 -42.64 97.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.33 1.81 20.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -122.08 -0.65 9.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.74 132.43 16.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.286 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.694 ' CE ' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -129.15 154.97 46.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.97 HD23 HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -95.37 153.13 17.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.641 ' HG3' HD11 ' A' ' 114' ' ' LEU . 12.9 tt0 -138.41 91.98 2.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.413 HD12 ' H ' ' A' ' 94' ' ' ILE . 4.4 mp -86.8 139.5 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.662 HG22 ' HB2' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -133.09 144.62 50.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.41 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.718 HD13 HG22 ' A' ' 46' ' ' VAL . 24.3 tp -122.58 132.41 54.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.583 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -140.3 -179.14 5.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 107.971 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -131.64 114.94 15.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.82 103.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -117.63 -173.23 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.569 1.168 . . . . 0.0 109.257 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 52.17 -178.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.4 m -112.13 -39.62 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -135.5 -66.31 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -41.45 142.2 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.91 99.0 3.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -138.8 70.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.2 m -107.72 142.34 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.35 130.34 50.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.311 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -79.31 100.25 7.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.506 HD22 HH12 ' A' ' 42' ' ' ARG . 16.7 mt -68.99 -31.21 69.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 143.84 152.33 5.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.662 ' HB2' HG22 ' A' ' 95' ' ' THR . 1.1 pt-20 -114.48 151.21 33.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.62 HD11 ' HG ' ' A' ' 131' ' ' LEU . 76.4 mt -121.04 101.39 10.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.694 HD23 ' CE ' ' A' ' 91' ' ' MET . 1.3 mp -91.54 146.96 23.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.562 HD11 HG22 ' A' ' 113' ' ' ILE . 2.0 mp -142.64 139.52 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.404 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 14.6 mt-10 -100.15 108.83 21.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.97 HD21 HD23 ' A' ' 92' ' ' LEU . 7.8 mt -45.98 -30.15 1.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -59.9 -45.68 91.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.5 p -112.21 22.36 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -78.39 117.06 19.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.477 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -74.82 86.9 2.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.91 125.98 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.9 t0 177.85 38.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.5 t70 40.41 39.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -111.35 120.65 42.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.636 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.07 122.45 7.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -126.36 142.69 51.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.53 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 96.2 m95 -92.18 106.9 18.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.401 ' HB2' HD13 ' A' ' 113' ' ' ILE . 53.3 m-85 -95.69 134.07 39.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.032 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -75.26 144.05 42.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.62 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -91.25 150.46 21.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -119.52 142.49 48.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 70.3 p -125.06 106.73 10.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 67.2 83.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.611 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -165.42 -44.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 64.74 -81.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 122.52 171.25 13.79 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.553 1.158 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 158.56 41.92 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.555 1.819 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.49 125.1 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.51 164.59 20.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -156.22 -51.83 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 0.751 . . . . 0.0 109.967 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.7 m -92.08 166.55 12.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.96 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.9 155.68 7.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.29 152.73 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.047 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -175.73 68.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.04 142.28 2.71 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . -125.0 -131.98 3.73 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -148.2 123.73 10.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.513 HD23 ' H ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -110.52 136.55 49.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.569 ' OG ' ' CE3' ' A' ' 128' ' ' TRP . 37.6 m -99.88 120.87 40.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.473 HD11 HD13 ' A' ' 10' ' ' LEU . 5.4 mt -131.62 125.24 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.639 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.6 ttmt -101.27 114.4 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.454 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 15.9 mt -107.74 154.85 20.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.49 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 29.7 t-105 -158.66 159.82 35.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 107.981 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.94 ' HB2' HD13 ' A' ' 122' ' ' LEU . 32.2 t80 -125.61 120.41 30.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -100.31 82.89 2.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -18.52 45.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.5 t -52.78 -65.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.96 5.56 42.64 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 63.52 59.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.586 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.55 139.47 52.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.789 ' HB2' HG11 ' A' ' 82' ' ' VAL . 25.8 tp -91.13 118.36 30.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.504 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.6 mp -93.4 131.88 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -145.6 105.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.925 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.1 m -103.04 122.23 44.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.352 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.87 HG13 HD11 ' A' ' 48' ' ' ILE . 36.9 mm -85.81 100.35 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.639 HD21 ' CE ' ' A' ' 13' ' ' LYS . 12.8 mt -64.79 -99.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.459 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -154.11 171.82 32.73 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.495 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -112.12 159.11 18.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.554 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -151.36 169.82 21.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 62.96 25.72 15.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 69' ' ' LEU . 24.3 mt -75.88 153.35 84.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 154.24 42.13 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 1.018 ' HB2' HD21 ' A' ' 69' ' ' LEU . 30.9 t -127.54 -172.6 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' N ' ' OG ' ' A' ' 35' ' ' SER . 4.8 ptp180 -149.64 154.31 38.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 62.13 -171.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.08 -26.91 64.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.4 82.3 0.08 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -145.96 109.82 4.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.544 1.813 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.406 ' NH1' ' OD2' ' A' ' 98' ' ' ASP . 4.9 ptp180 -146.9 -170.15 3.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -116.66 81.46 11.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.8 32.62 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.458 1.767 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.53 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.5 p90 -175.47 135.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.78 HG22 HD13 ' A' ' 96' ' ' LEU . 3.3 t -92.14 160.48 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -149.66 105.07 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.87 HD11 HG13 ' A' ' 27' ' ' ILE . 2.3 mt -92.4 150.36 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.576 ' CD1' ' HA ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -154.99 98.07 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.505 ' CE1' HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -58.68 109.23 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 49' ' ' TYR . 3.8 mp -74.04 158.27 85.94 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -74.99 -7.69 23.26 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.97 -0.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -45.05 129.58 7.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.576 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 7.3 mtm180 -157.44 40.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.32 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.25 -61.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.033 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 57' ' ' LYS . 8.5 p-10 178.03 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER -39.26 -55.49 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -109.27 58.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.511 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 4.0 ttmt -118.51 101.72 8.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -108.96 116.53 32.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -126.89 136.32 52.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.415 HG22 ' CE2' ' A' ' 77' ' ' PHE . 81.1 p -81.92 166.68 19.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.09 145.19 43.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.7 m -81.16 110.31 16.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.406 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.757 HG11 HG21 ' A' ' 68' ' ' THR . 1.5 t -77.67 149.09 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -122.86 128.3 50.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt 53.85 85.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.757 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.52 113.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.358 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.018 HD21 ' HB2' ' A' ' 35' ' ' SER . 5.4 mp -71.61 -22.3 61.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 4.7 mt-10 -130.18 92.59 35.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.628 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.2 Cg_endo -75.03 147.53 33.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HG3' ' C ' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -127.2 95.07 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.845 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.8 m-90 -88.87 -45.79 9.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 108.023 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER 40.48 33.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.925 ' O ' HG23 ' A' ' 26' ' ' THR . 0.6 OUTLIER -83.38 -177.28 6.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.9 m -132.82 139.25 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.461 ' O ' HG13 ' A' ' 25' ' ' VAL . 41.2 m-85 -140.64 116.2 10.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.6 mt -101.85 146.69 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.532 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.3 m-85 -136.55 110.52 8.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.488 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.62 160.52 41.14 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -74.97 141.51 71.99 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.992 -2.503 . . . . 0.0 110.979 0.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.789 HG11 ' HB2' ' A' ' 23' ' ' LEU . 6.7 t -131.55 119.35 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -102.19 168.23 9.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.576 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -84.23 -19.92 33.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.367 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.35 -3.99 58.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.11 -29.18 13.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 6.8 m-30 -44.42 -55.12 5.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -45.35 -53.78 8.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -89.99 29.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.458 ' C ' HD13 ' A' ' 117' ' ' LEU . 2.5 mtt180 -142.54 142.07 32.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.586 ' HE1' ' HB3' ' A' ' 114' ' ' LEU . 0.0 OUTLIER -152.38 135.07 15.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 23' ' ' LEU . 1.4 mt -92.0 131.06 37.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.456 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 24.5 tt0 -115.34 98.21 6.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.35 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.671 ' N ' HD12 ' A' ' 94' ' ' ILE . 3.0 mp -91.92 145.85 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.59 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -144.44 140.36 28.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.441 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.78 HD13 HG22 ' A' ' 46' ' ' VAL . 27.0 tp -114.0 135.9 53.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.508 ' CE2' ' HB ' ' A' ' 95' ' ' THR . 0.1 OUTLIER -142.94 165.78 26.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 107.988 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.406 ' OD2' ' NH1' ' A' ' 42' ' ' ARG . 3.3 t0 -120.83 104.94 10.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -38.12 109.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -123.54 -174.16 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 58.34 164.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.2 m -100.03 -37.73 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -99.46 50.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 51.52 -174.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 68.57 -173.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 52.63 90.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.37 119.52 38.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.583 ' OE2' HD21 ' A' ' 110' ' ' LEU . 17.0 pt-20 -61.94 -20.58 63.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.414 ' CD1' ' CZ3' ' A' ' 97' ' ' TRP . 36.9 t80 51.17 101.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.583 HD21 ' OE2' ' A' ' 108' ' ' GLU . 96.9 mt -72.58 -33.77 66.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.79 -178.66 36.69 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.59 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.0 pt-20 -137.64 136.64 37.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 0.79 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.559 HD11 HD22 ' A' ' 131' ' ' LEU . 70.8 mt -114.68 111.98 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.586 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 0.1 OUTLIER -95.4 133.69 39.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.455 HD12 HG22 ' A' ' 113' ' ' ILE . 2.8 mt -140.54 143.43 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.551 ' O ' ' HB2' ' A' ' 120' ' ' ALA . 6.6 mt-10 -109.95 139.45 45.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.256 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.68 ' N ' HD12 ' A' ' 117' ' ' LEU . 1.8 mp -77.26 -16.21 59.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -57.8 -38.02 74.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.344 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 67.7 p -134.25 10.14 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.623 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -40.26 136.44 1.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.7 mt -73.46 87.39 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.94 HD13 ' HB2' ' A' ' 16' ' ' PHE . 43.8 mt -97.93 77.45 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.22 2.85 9.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.49 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 27.5 t70 61.58 26.22 15.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.99 150.85 45.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.48 ' HB3' ' CD1' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 121.85 6.84 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -125.9 131.82 52.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.588 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.569 ' CE3' ' OG ' ' A' ' 11' ' ' SER . 96.0 m95 -83.49 137.86 33.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -131.89 122.27 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -63.52 153.74 34.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.65 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -90.81 159.75 16.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -128.14 113.54 15.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.9 p -110.9 97.64 6.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.01 127.06 1.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 22.0 t70 63.74 108.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 28.9 t -131.55 144.81 51.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 144.32 166.93 11.7 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 104.89 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 52.4 p -90.87 114.6 27.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.97 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.07 162.88 20.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.961 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 63.51 122.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.022 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 t -154.13 153.78 32.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 110.013 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.15 119.29 3.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 t -169.8 143.38 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.975 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 t -95.17 -61.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.35 152.43 28.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.36 -130.45 5.22 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -140.86 138.93 34.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 0.74 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.86 HD13 ' HB2' ' A' ' 30' ' ' ALA . 44.6 tp -118.35 153.68 33.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.524 ' H ' HD12 ' A' ' 10' ' ' LEU . 64.1 m -111.51 109.3 19.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.957 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.554 HD11 HD23 ' A' ' 10' ' ' LEU . 6.5 mt -120.32 121.83 66.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.673 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.6 ttmt -100.1 114.96 28.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.579 ' CB ' HD23 ' A' ' 122' ' ' LEU . 18.0 mt -107.23 151.57 25.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.0 t-105 -158.52 152.18 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 108.014 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -114.39 131.79 56.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.66 94.01 4.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -21.97 63.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.7 t -51.94 -68.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.89 5.2 53.4 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.5 m170 62.1 64.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.633 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.425 ' HB3' HG23 ' A' ' 78' ' ' ILE . 1.0 OUTLIER -132.21 148.12 52.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.809 ' HB2' HG11 ' A' ' 82' ' ' VAL . 18.9 tp -98.89 119.82 38.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.555 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp -94.72 130.51 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.515 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -141.6 101.22 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.905 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.3 m -96.43 121.18 37.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.422 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.036 HG22 ' CE3' ' A' ' 73' ' ' TRP . 49.5 mm -85.28 89.37 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.673 HD21 ' CE ' ' A' ' 13' ' ' LYS . 11.1 mt -54.91 -98.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.588 ' O ' HD12 ' A' ' 10' ' ' LEU . . . -159.8 172.41 36.35 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.86 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -110.45 170.7 7.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.85 171.1 21.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' LYS . 88.2 m-20 39.85 43.54 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -76.73 144.74 73.6 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.452 ' O ' ' NH1' ' A' ' 42' ' ' ARG . 18.2 Cg_endo -75.03 95.13 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.754 ' HB2' HD21 ' A' ' 69' ' ' LEU . 2.9 t -54.15 -169.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.22 173.87 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -54.6 -177.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.67 -61.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.46 -26.29 3.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.03 154.93 66.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 110.248 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.52 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.468 ' CD ' ' HB2' ' A' ' 98' ' ' ASP . 1.3 ptt-85 -148.96 -172.06 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 66' ' ' LYS . 3.2 m-20 -114.62 87.28 14.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -74.96 156.67 43.17 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.574 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 5.1 p90 -167.63 134.2 2.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.974 HG22 HD13 ' A' ' 96' ' ' LEU . 22.6 t -91.85 155.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.18 109.91 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.818 HD11 HG13 ' A' ' 27' ' ' ILE . 3.5 mt -91.4 150.09 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.473 ' CZ ' ' HG3' ' A' ' 59' ' ' LYS . 1.5 m-85 -155.36 97.92 1.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.761 ' CD1' HD21 ' A' ' 92' ' ' LEU . 23.1 t80 -64.3 120.96 13.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.542 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 56.1 mt -97.34 150.95 37.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -74.98 -166.82 5.15 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.004 -0.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.55 141.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 54' ' ' ARG . 11.2 mtp-105 -148.27 95.1 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.52 177.34 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -48.01 -25.5 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -54.69 -57.38 11.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -128.31 53.86 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 0.4 OUTLIER -121.77 133.38 54.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.56 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 25.7 mmt180 -133.97 128.85 35.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -139.37 136.88 35.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.475 HG21 ' HB ' ' A' ' 27' ' ' ILE . 67.7 p -82.18 165.31 20.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -58.84 145.22 41.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.8 m -80.58 110.66 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.445 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.825 HG11 HG21 ' A' ' 68' ' ' THR . 1.9 t -72.27 156.19 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HD3' ' ND2' ' A' ' 43' ' ' ASN . 12.7 mmtt -118.07 127.48 53.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 66' ' ' LYS . 13.4 mttt 41.51 91.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.825 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -179.42 108.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.162 . . . . 0.0 110.374 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.754 HD21 ' HB2' ' A' ' 35' ' ' SER . 0.9 OUTLIER -69.5 -22.54 63.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.417 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.6 mt-10 -122.56 87.58 49.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.704 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.3 Cg_endo -74.98 152.09 40.44 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.468 1.773 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -136.3 94.3 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 1.036 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.5 m-90 -90.5 -41.36 11.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 108.035 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.4 OUTLIER 39.36 34.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.905 ' O ' HG23 ' A' ' 26' ' ' THR . 1.7 mm100 -83.85 -179.07 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.4 m -129.51 144.61 51.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 46.7 m-85 -143.15 113.62 7.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 22' ' ' GLN . 32.4 mt -98.55 128.98 49.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.512 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.4 m-85 -120.35 111.33 17.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.529 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -146.22 162.09 36.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.044 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.529 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.2 Cg_endo -75.0 141.09 70.74 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.999 0.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.809 HG11 ' HB2' ' A' ' 23' ' ' LEU . 16.0 t -133.4 117.7 28.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -101.62 157.08 17.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.602 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -66.18 -39.61 89.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -28.3 66.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -61.46 -38.34 86.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -38.12 -53.95 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -46.51 -49.96 17.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.19 48.16 0.96 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.355 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.631 ' HG2' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -169.89 141.29 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.489 ' CE ' ' HG2' ' A' ' 116' ' ' GLU . 2.3 ttm -148.04 146.32 28.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.761 HD21 ' CD1' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -93.1 154.02 18.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.679 ' HG3' HD11 ' A' ' 114' ' ' LEU . 15.6 tt0 -138.6 91.82 2.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.46 ' H ' HD12 ' A' ' 94' ' ' ILE . 5.1 mp -88.17 140.33 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.619 HG22 ' HB2' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -131.23 146.33 52.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.393 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.974 HD13 HG22 ' A' ' 46' ' ' VAL . 34.1 tp -127.79 132.99 49.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -142.13 -169.75 3.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 107.955 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.468 ' HB2' ' CD ' ' A' ' 42' ' ' ARG . 3.0 t0 -139.74 120.15 13.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 95.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 106' ' ' GLU . . . -86.26 -76.04 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.95 -178.93 7.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.505 HG12 ' N ' ' A' ' 103' ' ' ARG . 17.8 t -105.25 -80.84 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.505 ' N ' HG12 ' A' ' 102' ' ' VAL . 0.3 OUTLIER -52.96 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -69.89 -179.77 1.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.25 -76.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.443 ' O ' ' HB3' ' A' ' 100' ' ' ALA . 13.3 mt-10 45.15 43.95 8.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.3 m -103.83 156.97 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -105.41 126.98 52.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.526 ' CE2' ' HA2' ' A' ' 111' ' ' GLY . 82.6 t80 -74.22 91.43 2.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.4 mt -58.61 -29.79 66.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 109' ' ' PHE . . . 138.39 150.68 5.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.619 ' HB2' HG22 ' A' ' 95' ' ' THR . 0.9 OUTLIER -109.14 158.9 17.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.599 HG22 HD11 ' A' ' 115' ' ' ILE . 82.9 mt -127.43 102.25 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.679 HD11 ' HG3' ' A' ' 93' ' ' GLU . 2.4 mp -93.0 146.37 23.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.599 HD11 HG22 ' A' ' 113' ' ' ILE . 2.1 mp -143.09 129.19 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.489 ' HG2' ' CE ' ' A' ' 91' ' ' MET . 38.6 mt-10 -85.3 107.3 17.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.438 ' HA ' ' CB ' ' A' ' 120' ' ' ALA . 9.5 mt -43.53 -31.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.03 -45.6 92.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 116' ' ' GLU . 73.9 p -111.01 21.57 16.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 110.41 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -76.0 101.92 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.992 ' O ' HD12 ' A' ' 121' ' ' LEU . 4.0 pp -63.53 95.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.579 HD23 ' CB ' ' A' ' 14' ' ' LEU . 1.6 mt -100.21 114.29 27.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -159.46 28.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 49.1 t0 47.57 43.24 15.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 3.9 mt-10 -121.35 132.86 24.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.506 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.98 123.92 8.25 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.77 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.55 ' HB3' ' CE1' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -126.15 144.55 50.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 109.585 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.586 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 97.8 m95 -94.41 106.01 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 127' ' ' HIS . 29.0 m-85 -99.58 118.98 37.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 147.63 42.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.563 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.1 mt -90.0 153.72 20.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -107.71 142.29 37.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 41.0 p -139.76 84.95 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.44 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.15 -69.79 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.73 132.44 11.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.72 -57.73 6.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -51.87 163.39 1.52 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 178.44 7.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.62 99.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 75.4 p -147.75 155.65 41.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.11 154.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 0.796 . . . . 0.0 109.991 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 t -179.54 148.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.93 -171.3 16.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -157.2 68.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.74 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -170.66 83.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.945 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.93 149.58 44.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.455 1.097 . . . . 0.0 111.057 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.13 -131.04 4.72 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -142.27 135.28 28.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.548 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -115.03 136.0 53.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.587 ' HB2' ' CH2' ' A' ' 128' ' ' TRP . 1.7 t -100.87 126.62 47.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.707 ' CG2' HD11 ' A' ' 14' ' ' LEU . 8.4 mt -141.74 148.78 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.645 ' HB2' HD11 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -124.27 114.28 19.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.786 ' HB2' HD23 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -109.46 157.4 19.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -158.53 148.86 19.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 107.991 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -114.22 130.35 56.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.34 83.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -19.36 57.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.46 -69.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.43 7.61 78.17 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.539 1.149 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 52.18 48.25 23.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.54 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.73 142.29 51.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.83 ' HB2' HG11 ' A' ' 82' ' ' VAL . 15.0 tp -95.45 115.91 28.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp -88.57 137.46 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.504 ' HB ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -152.22 128.76 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.802 HG22 HD12 ' A' ' 28' ' ' LEU . 1.3 m -125.92 126.99 45.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.886 HG13 HD11 ' A' ' 48' ' ' ILE . 44.7 mm -87.25 87.09 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.802 HD12 HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -50.71 -99.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.591 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.33 165.86 35.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.594 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -101.7 168.93 9.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.751 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.01 160.09 39.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 58.9 45.34 15.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.594 HD21 ' HB1' ' A' ' 30' ' ' ALA . 20.1 mt -87.02 150.47 49.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 120.61 6.13 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.556 1.819 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.704 ' HB2' HD21 ' A' ' 69' ' ' LEU . 9.4 t -80.36 -159.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.944 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -134.23 48.02 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 56.37 170.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t0 41.75 31.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.34 57.1 14.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -105.61 108.46 61.55 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.419 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.02 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.7 -171.38 3.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -117.17 81.25 12.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 98' ' ' ASP . 18.1 Cg_endo -75.05 165.37 31.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.791 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 28.5 p90 -168.93 123.66 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.831 HG22 HD13 ' A' ' 96' ' ' LEU . 6.3 t -74.88 161.07 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.401 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -146.38 111.31 5.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.354 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.886 HD11 HG13 ' A' ' 27' ' ' ILE . 3.1 mt -94.06 150.71 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.427 ' O ' HD13 ' A' ' 51' ' ' LEU . 2.4 m-85 -154.38 103.79 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CD1' HD21 ' A' ' 92' ' ' LEU . 37.0 t80 -73.63 94.82 2.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.517 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -68.28 156.81 89.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -74.94 -171.96 10.08 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 121.035 -2.486 . . . . 0.0 110.992 -0.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 62.9 149.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -139.31 39.86 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.68 176.73 6.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.984 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -51.64 -37.75 51.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.1 -41.6 7.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -127.87 52.02 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -117.69 118.75 32.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.567 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -136.69 115.81 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 62' ' ' THR . 6.5 ttm180 -129.0 140.71 51.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.577 HG22 ' CZ ' ' A' ' 77' ' ' PHE . 75.0 p -83.32 168.48 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.401 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.3 141.83 57.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.3 m -80.4 113.04 18.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.9 HG11 HG21 ' A' ' 68' ' ' THR . 2.1 t -71.76 153.93 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 67' ' ' LYS . 17.0 mmtt -115.05 117.2 29.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 66' ' ' LYS . 47.7 mttt 47.99 97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.9 HG21 HG11 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -176.12 114.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.393 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.704 HD21 ' HB2' ' A' ' 35' ' ' SER . 4.6 mp -70.19 -23.49 62.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 3.2 mt-10 -128.28 92.47 41.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.609 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.2 Cg_endo -75.04 158.57 41.96 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -144.47 99.4 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.86 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.3 m-90 -98.69 -49.09 4.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 107.968 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER 40.27 38.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.296 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.776 ' O ' HG23 ' A' ' 26' ' ' THR . 3.3 mm100 -80.95 172.53 13.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 22.6 m -110.39 142.1 42.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.577 ' CZ ' HG22 ' A' ' 62' ' ' THR . 53.0 m-85 -149.55 113.78 5.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.5 mt -103.9 145.86 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.532 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 10.3 m-85 -136.06 112.15 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.506 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.35 160.72 41.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.971 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -75.03 141.77 72.72 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.987 0.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.83 HG11 ' HB2' ' A' ' 23' ' ' LEU . 14.2 t -133.38 127.25 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -113.61 167.31 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.595 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.434 ' HD2' ' CE2' ' A' ' 87' ' ' PHE . 5.9 tpt180 -80.01 -15.36 57.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.17 -3.01 48.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.3 mm-40 -100.16 -6.95 25.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.497 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 7.6 m-30 -61.32 -49.55 76.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -67.38 -8.53 33.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -112.77 -10.15 13.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.453 ' HD3' ' CE2' ' A' ' 50' ' ' PHE . 52.8 mtt180 -138.44 128.52 25.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.561 ' HE3' ' HG2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -128.34 150.7 49.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.587 HD23 HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -96.18 144.25 26.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.457 ' HG3' HD21 ' A' ' 114' ' ' LEU . 9.3 tt0 -131.87 98.29 4.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.661 ' N ' HD12 ' A' ' 94' ' ' ILE . 2.9 mp -97.73 129.89 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.33 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.73 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -130.66 138.13 49.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.399 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.831 HD13 HG22 ' A' ' 46' ' ' VAL . 28.7 tp -108.46 129.68 55.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.577 ' CE3' ' HB2' ' A' ' 109' ' ' PHE . 4.6 m95 -128.28 174.53 9.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 108.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 98' ' ' ASP . 0.5 OUTLIER -135.67 116.3 13.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -62.57 89.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.55 -78.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.62 179.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 55.1 t -99.19 -71.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.5 mtt85 -64.51 -76.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.33 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -48.49 174.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.255 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -80.42 -66.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 45.33 78.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.4 p -90.44 122.11 33.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 2.2 tt0 -88.78 -25.27 22.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.577 ' HB2' ' CE3' ' A' ' 97' ' ' TRP . 93.4 t80 58.93 112.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.7 mt -86.27 -25.24 25.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.14 -178.0 36.37 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.73 ' CB ' HG22 ' A' ' 95' ' ' THR . 1.2 pt-20 -139.32 143.6 37.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 10' ' ' LEU . 40.6 mt -126.37 117.29 48.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.499 HD13 ' HE2' ' A' ' 91' ' ' MET . 0.1 OUTLIER -104.86 135.39 46.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.598 HD12 HD13 ' A' ' 94' ' ' ILE . 5.2 mt -133.98 128.1 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.561 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 9.3 mt-10 -97.19 108.46 21.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.587 HD21 HD23 ' A' ' 92' ' ' LEU . 18.4 mt -45.71 -27.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -58.28 -39.45 79.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 116' ' ' GLU . 71.9 p -125.29 30.75 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.421 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -83.83 109.64 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 1.025 ' O ' HD12 ' A' ' 121' ' ' LEU . 4.0 pp -68.45 97.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.786 HD23 ' HB2' ' A' ' 14' ' ' LEU . 1.5 mt -104.89 125.06 50.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 125' ' ' GLU . 6.5 t0 179.72 44.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 124' ' ' ASP . 26.2 t0 47.62 24.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 123' ' ' ASP . 14.7 mt-10 -111.6 102.7 53.94 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.768 ' HB3' HD21 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 135.59 19.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.47 1.774 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -126.4 150.57 48.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.589 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 84.6 m95 -86.91 107.27 18.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -90.83 135.78 33.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -71.46 141.28 50.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.498 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -92.98 154.69 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -121.28 114.23 21.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 3.7 p -119.01 11.55 12.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.23 82.38 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.58 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -123.03 137.98 54.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.13 154.16 43.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 177.72 170.41 39.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.135 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.65 135.96 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.977 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 t 60.61 167.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.44 128.04 53.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 0.723 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.57 134.35 3.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.35 109.89 0.31 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.2 p -128.39 164.97 21.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 0.747 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -161.6 -51.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.1 146.72 9.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.63 -124.37 1.74 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -137.55 130.52 30.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.289 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.638 HD13 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -114.27 136.77 52.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.53 ' H ' HD23 ' A' ' 10' ' ' LEU . 67.2 m -99.88 115.98 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.638 HD11 HD13 ' A' ' 10' ' ' LEU . 7.8 mt -132.07 129.56 60.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' CE ' HD21 ' A' ' 28' ' ' LEU . 3.3 ttmt -105.02 113.89 27.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' CD1' HG21 ' A' ' 115' ' ' ILE . 65.4 mt -105.04 151.12 24.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.461 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 6.4 t-105 -159.03 148.53 18.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 107.97 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.593 ' HE1' HG12 ' A' ' 82' ' ' VAL . 63.5 t80 -111.08 138.27 47.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' A' ' 20' ' ' GLY . 18.5 t70 -113.52 108.69 17.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.88 -26.79 19.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.61 HG23 ' H ' ' A' ' 20' ' ' GLY . 27.0 m -55.83 -60.57 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.61 ' H ' HG23 ' A' ' 19' ' ' VAL . . . -97.84 2.85 60.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.115 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 80' ' ' SER . 56.9 m-70 58.96 63.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.767 . . . . 0.0 109.624 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -138.8 159.98 40.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.988 ' HB2' HG11 ' A' ' 82' ' ' VAL . 6.1 tp -110.09 122.12 46.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.595 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp -93.89 148.03 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.474 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -162.46 103.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.1 m -101.29 128.79 47.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.868 HG22 ' CE3' ' A' ' 73' ' ' TRP . 48.6 mm -92.67 93.7 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' A' ' 126' ' ' PRO . 12.6 mt -57.02 -99.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.563 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.6 168.84 34.92 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.501 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . . . -106.63 162.24 13.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.571 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -149.63 164.3 35.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 50.54 55.6 9.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 69' ' ' LEU . 1.3 mp -93.34 157.94 37.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.439 ' O ' ' NH2' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -74.96 121.11 6.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.484 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 28.2 t -113.1 169.53 8.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.9 127.91 53.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -46.73 -74.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -110.26 30.86 6.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 40' ' ' ARG . . . -121.6 31.52 4.99 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.438 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER 51.3 174.21 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 110.285 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -74.99 -94.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.441 1.759 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.506 ' CB ' ' O ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER 157.72 179.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -120.46 84.63 36.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.55 42.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.591 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 2.2 p90 -173.05 122.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.809 HG22 HD13 ' A' ' 96' ' ' LEU . 16.8 t -73.77 161.01 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -149.96 110.89 4.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.629 HD11 HG13 ' A' ' 27' ' ' ILE . 2.4 mt -91.35 157.09 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.524 ' CD1' ' HA ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -155.2 98.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.609 ' CD1' HD21 ' A' ' 92' ' ' LEU . 39.9 t80 -68.98 88.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.529 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -51.89 157.02 2.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.06 -19.81 17.25 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.956 0.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' OD2' ' ND2' ' A' ' 58' ' ' ASN . 7.2 m-20 -46.38 112.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.524 ' HA ' ' CD1' ' A' ' 49' ' ' TYR . 8.1 ttm180 -149.79 71.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.23 -44.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.973 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.449 ' HA ' ' CB ' ' A' ' 59' ' ' LYS . 9.5 t70 -173.61 -39.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 56' ' ' ASP . 2.1 mttt -37.98 -62.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.4 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 4.6 m-80 -111.34 49.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.449 ' CB ' ' HA ' ' A' ' 56' ' ' ASP . 30.3 ttpt -100.13 88.14 3.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.542 ' HD2' ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -122.94 115.49 22.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.97 162.5 24.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.524 ' HB ' ' CD1' ' A' ' 73' ' ' TRP . 39.1 p -81.77 166.1 20.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.441 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.95 148.27 35.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.8 m -80.71 112.05 17.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.655 HG11 HG21 ' A' ' 68' ' ' THR . 0.7 OUTLIER -81.91 142.07 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 67' ' ' LYS . 14.7 mmtt -106.03 130.3 53.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.42 ' O ' ' O ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER 43.41 93.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.655 HG21 HG11 ' A' ' 65' ' ' VAL . 1.3 t -175.88 119.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.444 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.575 ' O ' HD22 ' A' ' 33' ' ' LEU . 55.2 mt -81.44 -19.79 41.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.435 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 1.8 mt-10 -129.87 85.55 57.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.574 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.2 Cg_endo -74.95 141.23 26.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.465 1.771 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.8 mttt -124.79 98.66 5.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.868 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.6 m-90 -92.06 -43.94 9.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 107.98 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' TRP . 1.1 m-80 38.71 39.09 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.849 ' O ' HG23 ' A' ' 26' ' ' THR . 1.3 mm100 -85.85 -175.19 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 m -133.94 135.7 43.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.401 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.542 ' CE1' ' HD2' ' A' ' 60' ' ' ARG . 47.5 m-85 -138.01 119.22 14.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.47 ' CG1' HG13 ' A' ' 24' ' ' ILE . 5.8 mt -110.74 139.31 35.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.516 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 84.8 m-85 -129.08 119.89 24.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.523 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -145.65 161.57 40.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.523 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.1 Cg_endo -75.05 143.28 77.26 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.959 0.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.988 HG11 ' HB2' ' A' ' 23' ' ' LEU . 19.5 t -135.59 118.72 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -105.65 159.99 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.598 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.1 tpt85 -73.56 -19.68 60.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -9.32 49.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -93.55 -11.2 32.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.524 ' CZ ' ' CD1' ' A' ' 16' ' ' PHE . 2.6 m-30 -55.16 -39.16 69.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -83.54 0.94 44.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -105.01 -20.4 13.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.1 mtm180 -145.38 148.31 33.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.425 ' HE3' ' CG ' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -131.42 153.53 49.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.991 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.609 HD21 ' CD1' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -93.65 147.55 22.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.474 ' HG3' HD21 ' A' ' 114' ' ' LEU . 14.9 tt0 -136.53 102.02 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.754 ' N ' HD12 ' A' ' 94' ' ' ILE . 2.2 mp -98.8 140.35 18.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.569 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -143.2 144.15 32.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 110.364 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.809 HD13 HG22 ' A' ' 46' ' ' VAL . 16.7 tp -107.64 134.76 50.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.58 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 1.1 m95 -138.04 162.88 32.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -124.44 98.48 5.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -41.45 108.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -128.18 -178.25 4.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.455 ' CB ' ' HB2' ' A' ' 106' ' ' GLU . 0.0 OUTLIER 58.95 155.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.597 HG22 ' HD2' ' A' ' 103' ' ' ARG . 2.5 p -67.49 142.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.597 ' HD2' HG22 ' A' ' 102' ' ' VAL . 0.1 OUTLIER 58.64 172.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -68.95 99.02 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 176.4 163.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER 61.48 109.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 p -119.07 126.29 51.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 109' ' ' PHE . 13.1 pt-20 -80.62 -23.81 39.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 108' ' ' GLU . 48.4 t80 55.95 111.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.564 HD12 ' HG ' ' A' ' 96' ' ' LEU . 28.6 mt -79.12 -51.72 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -171.84 -175.51 40.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.569 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.3 pt-20 -140.85 137.77 33.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 0.768 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.48 HD11 ' HG ' ' A' ' 131' ' ' LEU . 59.0 mt -126.47 114.99 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.474 HD21 ' HG3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -101.94 135.0 44.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.601 HD12 HD13 ' A' ' 94' ' ' ILE . 3.9 mt -136.72 117.51 17.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.425 ' CG ' ' HE3' ' A' ' 91' ' ' MET . 29.9 mt-10 -86.83 111.51 20.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.538 HD21 HD23 ' A' ' 92' ' ' LEU . 24.5 mt -44.22 -34.17 1.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -53.93 -52.71 59.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.8 p -111.2 28.14 9.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.45 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -78.91 108.95 12.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 1.021 ' O ' HD12 ' A' ' 121' ' ' LEU . 4.0 pp -63.71 95.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.503 HD13 ' HB2' ' A' ' 16' ' ' PHE . 1.2 mt -103.84 120.83 41.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -170.12 34.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.461 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 35.0 t0 41.75 37.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 126' ' ' PRO . 7.1 mt-10 -114.61 128.21 26.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.6 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.99 123.25 7.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -125.45 150.15 47.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.638 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 91.8 m95 -97.95 105.03 17.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.525 ' OH ' HD11 ' A' ' 121' ' ' LEU . 52.0 m-85 -95.02 120.96 36.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -60.45 143.59 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.48 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.1 mt -89.86 144.24 26.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -118.95 119.33 34.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 18.0 p -107.8 93.3 4.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 110.397 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -174.56 103.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.566 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.09 130.81 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.29 151.63 28.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.975 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -123.12 170.23 15.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.94 3.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.451 1.763 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.31 84.06 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.79 100.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -168.22 151.24 5.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 p -175.62 152.99 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.16 164.28 23.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -176.77 163.93 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.992 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p -94.61 171.39 8.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 131' ' ' LEU . . . -92.57 144.55 17.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . -102.54 -133.64 8.1 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -145.79 128.87 16.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 0.745 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.682 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -120.15 137.03 54.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.608 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 68.5 m -100.73 107.87 19.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.682 HD11 HD13 ' A' ' 10' ' ' LEU . 7.8 mt -120.9 123.84 71.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.513 ' CE ' HD21 ' A' ' 28' ' ' LEU . 3.6 ttmt -100.87 114.37 28.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 109.355 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.68 ' HB3' HD23 ' A' ' 122' ' ' LEU . 18.5 mt -105.19 154.85 19.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -158.44 147.14 18.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.42 ' CE2' ' HD3' ' A' ' 84' ' ' ARG . 28.9 t80 -112.97 115.33 28.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -91.62 79.81 5.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -17.63 30.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.3 t -55.15 -65.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.24 5.51 45.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 23.4 m170 64.15 57.08 1.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 0.758 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.405 ' HB3' HG23 ' A' ' 78' ' ' ILE . 0.3 OUTLIER -126.59 136.6 52.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.841 ' HB2' HG11 ' A' ' 82' ' ' VAL . 18.8 tp -88.74 119.58 29.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.501 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.6 mp -95.31 141.85 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.537 HG13 ' HB2' ' A' ' 77' ' ' PHE . 0.1 OUTLIER -153.89 105.81 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -102.36 118.97 38.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.895 HG13 HD11 ' A' ' 48' ' ' ILE . 49.5 mm -81.34 95.94 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' A' ' 126' ' ' PRO . 11.6 mt -61.6 -97.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.573 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.43 164.71 33.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.51 162.01 13.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -154.16 163.56 39.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 59.21 46.04 13.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 13.5 mt -92.32 145.49 30.75 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.56 ' HG2' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -75.01 108.15 2.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.421 1.748 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.466 ' N ' HH21 ' A' ' 42' ' ' ARG . 17.0 t -64.02 175.26 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -139.65 -177.12 4.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.578 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 2.8 mt-10 62.31 -79.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.578 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER 148.79 -20.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -130.68 -47.1 0.14 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.433 1.083 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -89.28 141.35 29.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.482 ' HG2' ' CB ' ' A' ' 67' ' ' LYS . 18.3 Cg_endo -75.0 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.47 1.774 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.657 ' NH2' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -127.17 -176.88 3.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -116.51 86.38 18.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 160.8 39.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.779 ' O ' HD12 ' A' ' 96' ' ' LEU . 4.9 p90 -169.12 142.43 2.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.822 HG22 HD13 ' A' ' 96' ' ' LEU . 13.1 t -99.05 153.86 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -141.76 106.21 4.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.895 HD11 HG13 ' A' ' 27' ' ' ILE . 3.1 mt -91.74 152.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.557 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 2.2 m-85 -154.85 98.58 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.628 ' CD1' HD21 ' A' ' 92' ' ' LEU . 53.6 t80 -65.27 99.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.512 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 4.3 mp -68.95 160.69 77.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.4 Cg_endo -75.0 -9.16 23.93 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.034 -0.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.66 136.36 10.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -163.74 58.67 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.17 72.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.25 -171.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.54 -73.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -98.99 33.64 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 6.7 ttmt -102.8 107.4 18.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.401 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 35.2 mmt180 -113.73 125.56 54.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 62' ' ' THR . 51.8 ttp180 -138.59 143.87 39.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.374 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.504 HG21 HG21 ' A' ' 27' ' ' ILE . 74.3 p -88.22 161.31 17.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.19 143.54 43.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.3 m -80.04 110.86 15.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 110.427 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.638 HG11 HG21 ' A' ' 68' ' ' THR . 1.1 t -78.84 142.46 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -117.42 127.5 54.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.482 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 2.0 mtpt 58.9 83.55 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.638 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -179.7 111.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.412 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.657 HD22 ' NH2' ' A' ' 42' ' ' ARG . 14.3 mt -72.97 -19.73 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.438 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 5.6 mt-10 -129.84 89.99 44.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 110.343 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.587 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.99 151.02 39.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.793 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -135.42 93.97 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.887 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.4 m-90 -87.98 -40.36 13.95 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER 38.97 33.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.564 ' O ' HG23 ' A' ' 26' ' ' THR . 0.8 OUTLIER -82.83 177.6 8.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 110.341 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.423 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 1.2 m -127.16 148.63 50.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.537 ' HB2' HG13 ' A' ' 25' ' ' VAL . 38.1 m-85 -149.12 125.2 10.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.405 HG23 ' HB3' ' A' ' 22' ' ' GLN . 4.5 mt -110.91 144.41 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.518 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 11.5 m-85 -136.19 111.68 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.514 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.15 161.08 40.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.514 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.1 Cg_endo -75.07 141.43 71.67 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.96 0.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.841 HG11 ' HB2' ' A' ' 23' ' ' LEU . 17.5 t -134.13 115.42 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 83' ' ' HIS . 0.9 OUTLIER -96.49 159.76 14.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 109.605 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 9.1 tpt180 -69.82 -33.87 72.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -17.95 54.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.34 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 90' ' ' ARG . 2.9 mm-40 -78.49 -15.14 58.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.407 ' CG ' ' HB3' ' A' ' 117' ' ' LEU . 6.9 m-30 -54.99 -50.82 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -65.39 -13.91 59.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -108.38 -4.06 17.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -142.91 120.6 11.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.403 ' CE ' HD23 ' A' ' 114' ' ' LEU . 0.3 OUTLIER -120.98 148.54 43.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.631 HD23 HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -92.44 145.19 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.616 ' HG3' HD11 ' A' ' 114' ' ' LEU . 10.6 tt0 -131.71 91.99 3.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.447 ' H ' HD12 ' A' ' 94' ' ' ILE . 4.4 mp -86.1 149.14 4.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.791 HG22 ' HB2' ' A' ' 112' ' ' GLU . 1.3 p -141.34 145.5 35.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.822 HD13 HG22 ' A' ' 46' ' ' VAL . 28.9 tp -128.96 131.1 47.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -143.12 168.64 19.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 108.023 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' CG ' ' HB2' ' A' ' 42' ' ' ARG . 1.8 t0 -119.34 105.59 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.28 96.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 102' ' ' VAL . . . -118.0 170.27 8.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.905 ' O ' HG22 ' A' ' 102' ' ' VAL . 0.6 OUTLIER 66.53 -59.6 0.35 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.905 HG22 ' O ' ' A' ' 101' ' ' ARG . 1.0 OUTLIER 63.49 155.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.691 ' HG3' HG23 ' A' ' 102' ' ' VAL . 26.8 mtt180 64.33 22.67 12.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -166.81 -171.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.88 79.84 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.7 122.79 27.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 87.5 p -137.61 140.98 41.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.975 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.701 ' OE2' HD21 ' A' ' 110' ' ' LEU . 15.0 pt-20 -98.42 -2.83 38.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 108' ' ' GLU . 64.8 t80 36.35 93.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.701 HD21 ' OE2' ' A' ' 108' ' ' GLU . 72.7 mt -69.41 -14.91 63.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.32 154.66 7.9 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.504 1.128 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.791 ' HB2' HG22 ' A' ' 95' ' ' THR . 1.1 pt-20 -111.15 147.66 34.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 0.793 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.653 HD11 ' CD2' ' A' ' 131' ' ' LEU . 71.9 mt -119.06 101.75 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.616 HD11 ' HG3' ' A' ' 93' ' ' GLU . 1.4 mp -93.47 145.18 24.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.605 HD11 HG22 ' A' ' 113' ' ' ILE . 2.1 mp -142.05 122.88 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 119' ' ' THR . 38.5 mt-10 -84.26 104.84 14.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.631 HD21 HD23 ' A' ' 92' ' ' LEU . 16.6 mt -40.22 -32.63 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.02 -50.28 69.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 116' ' ' GLU . 76.1 p -110.86 28.37 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -83.37 106.02 14.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -67.91 89.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.68 HD23 ' HB3' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -91.61 128.95 37.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -179.07 38.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.1 t70 41.17 38.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -110.6 121.05 42.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.584 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.93 122.1 7.02 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -126.36 156.54 40.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.564 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.608 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 98.9 m95 -102.23 107.48 18.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 107.993 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -99.62 107.2 19.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -54.82 148.96 12.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.68 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -85.31 161.08 19.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -128.21 112.74 14.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 35.3 p -109.59 -15.57 14.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.63 81.14 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.603 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 170.13 123.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.43 -52.92 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 130.11 174.63 13.75 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.51 1.131 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 71.27 5.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.564 1.823 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.4 t -106.94 -56.35 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.04 -56.44 5.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.955 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t 53.05 87.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -141.37 169.68 17.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.12 176.62 2.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.572 1.17 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -176.21 98.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 0.747 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -169.27 152.01 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.003 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 131' ' ' LEU . . . -108.81 144.4 16.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . -98.82 -131.04 7.12 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -147.16 126.34 12.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.275 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.586 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -113.78 137.21 51.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.583 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 72.3 m -99.58 110.85 23.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.586 HD11 HD13 ' A' ' 10' ' ' LEU . 5.6 mt -122.37 121.86 64.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.657 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.0 ttmt -100.83 114.88 29.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.483 HD23 ' HB ' ' A' ' 25' ' ' VAL . 9.2 mt -107.6 153.33 23.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.422 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 6.0 t-105 -158.2 132.52 8.12 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.432 ' HE1' HG12 ' A' ' 82' ' ' VAL . 40.8 t80 -97.87 118.33 34.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -97.01 77.92 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.73 -17.94 18.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.4 t -57.84 -68.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.75 3.38 65.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 63.82 49.3 2.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 0.78 . . . . 0.0 109.607 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.31 142.73 50.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.931 ' HB2' HG11 ' A' ' 82' ' ' VAL . 32.0 tp -95.91 118.02 31.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.544 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.6 mp -92.89 131.01 41.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.483 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -143.55 106.79 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.864 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -104.4 125.39 50.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.882 HG22 ' CE3' ' A' ' 73' ' ' TRP . 42.8 mm -87.47 88.16 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.657 HD21 ' CE ' ' A' ' 13' ' ' LYS . 10.1 mt -51.45 -99.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 71' ' ' PRO . . . -157.49 162.17 31.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.687 ' HB1' HD11 ' A' ' 33' ' ' LEU . . . -99.1 160.42 14.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -153.92 165.93 34.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 46.86 44.65 14.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.767 HD22 ' O ' ' A' ' 69' ' ' LEU . 1.4 mp -74.12 161.1 79.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.55 18.69 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.519 ' CB ' HD21 ' A' ' 69' ' ' LEU . 9.6 t 53.32 177.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 37' ' ' GLU . 1.1 mtm180 -132.1 48.37 2.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.566 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 2.0 mm-40 -46.42 174.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.566 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.3 t0 87.21 9.9 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 40' ' ' ARG . . . 154.89 84.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.499 ' HB3' ' HD2' ' A' ' 41' ' ' PRO . 5.8 mmt180 54.9 162.49 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 18.4 Cg_endo -74.97 -92.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.454 1.765 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.521 ' NH1' HD12 ' A' ' 69' ' ' LEU . 0.9 OUTLIER 157.45 -174.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.469 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 6.2 m-20 -121.18 93.69 48.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.468 ' HG3' ' NH1' ' A' ' 42' ' ' ARG . 18.1 Cg_endo -75.01 167.37 27.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.585 ' CE2' ' HB2' ' A' ' 97' ' ' TRP . 9.7 p90 -178.26 122.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.803 HG22 HD13 ' A' ' 96' ' ' LEU . 21.4 t -73.62 161.35 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -150.13 112.19 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.5 HD11 HG13 ' A' ' 27' ' ' ILE . 1.8 mt -91.42 153.32 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.584 ' CE1' ' C ' ' A' ' 54' ' ' ARG . 0.6 OUTLIER -154.85 97.72 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.456 ' HB3' ' CB ' ' A' ' 58' ' ' ASN . 16.0 t80 -65.45 105.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.534 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 77.8 mt -78.19 151.87 78.73 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -74.95 -171.14 8.96 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.97 -2.513 . . . . 0.0 110.995 -0.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.82 96.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.584 ' C ' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -106.23 41.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 110.266 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.2 p -157.97 113.26 2.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 60.72 175.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 76.78 -79.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 14.7 p30 -102.49 21.72 14.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -85.57 101.44 12.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.258 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.559 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -141.7 125.98 17.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 159.46 29.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.608 HG21 ' HB ' ' A' ' 27' ' ' ILE . 47.6 p -81.19 172.97 12.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -58.36 154.95 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 20.0 m -92.59 114.31 26.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -90.98 137.28 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.419 ' O ' ' O ' ' A' ' 67' ' ' LYS . 11.1 mmtt -101.4 134.25 44.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 4.3 mtpm? 41.77 92.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 68' ' ' THR . 0.7 OUTLIER -177.84 113.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.432 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.767 ' O ' HD22 ' A' ' 33' ' ' LEU . 2.2 mp -79.02 -17.79 54.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.251 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.412 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 3.1 mt-10 -125.94 80.27 67.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.677 ' HD2' ' HB3' ' A' ' 30' ' ' ALA . 18.1 Cg_endo -75.01 142.96 28.46 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -128.32 96.04 4.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.882 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.8 m-90 -89.0 -41.37 12.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 108.004 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.423 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 40.39 35.09 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.864 ' O ' HG23 ' A' ' 26' ' ' THR . 1.9 mt-30 -83.21 -174.95 5.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.1 m -132.59 146.68 52.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.43 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.559 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 59.2 m-85 -149.65 113.06 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.8 mt -98.23 144.24 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.511 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 10.4 m-85 -135.57 112.6 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.35 160.26 42.75 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.976 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.5 Cg_endo -74.99 143.38 77.64 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.027 -0.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.931 HG11 ' HB2' ' A' ' 23' ' ' LEU . 24.1 t -136.39 106.15 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -93.97 165.67 12.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 109.64 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.5 tpt85 -73.81 -16.61 61.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.36 -12.43 27.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.3 mm-40 -86.35 -13.47 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.605 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 4.5 m-30 -57.84 -49.2 77.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.426 ' CB ' ' OE1' ' A' ' 118' ' ' GLU . 26.9 ptt180 -74.8 -4.49 38.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -106.58 -17.9 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 86' ' ' GLU . 4.7 mpt_? -142.11 131.01 22.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.502 ' SD ' HD12 ' A' ' 114' ' ' LEU . 0.8 OUTLIER -119.2 155.51 31.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.705 HD12 HD21 ' A' ' 117' ' ' LEU . 6.6 mt -92.94 148.54 21.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.434 ' HG3' HD21 ' A' ' 114' ' ' LEU . 13.5 tt0 -134.17 92.11 2.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.692 ' N ' HD12 ' A' ' 94' ' ' ILE . 2.3 mp -95.9 140.25 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.564 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -143.72 150.31 38.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.378 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.803 HD13 HG22 ' A' ' 46' ' ' VAL . 16.2 tp -114.91 131.57 56.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.585 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -136.01 170.83 15.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 1.2 t0 -127.92 114.99 17.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.49 102.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -99.37 -71.59 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -69.88 168.43 15.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.2 m -94.57 -44.22 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -123.94 -54.0 1.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.0 161.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.128 . . . . 0.0 110.26 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -103.17 98.01 8.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -149.39 85.59 1.45 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -96.69 116.64 29.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.638 ' OE2' HD21 ' A' ' 110' ' ' LEU . 20.7 pt-20 -60.02 -21.64 61.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.466 ' CD1' ' CZ3' ' A' ' 97' ' ' TRP . 52.0 t80 52.8 105.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.638 HD21 ' OE2' ' A' ' 108' ' ' GLU . 85.4 mt -75.97 -44.0 41.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.75 176.99 47.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.564 ' CB ' HG22 ' A' ' 95' ' ' THR . 1.0 OUTLIER -132.46 136.0 46.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 0.8 . . . . 0.0 110.288 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.551 HD11 ' CD2' ' A' ' 131' ' ' LEU . 39.9 mt -120.92 103.42 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.502 HD12 ' SD ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -96.86 136.14 37.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.7 mt -137.17 120.55 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.488 ' CG ' ' HE3' ' A' ' 91' ' ' MET . 53.1 mt-10 -81.33 112.0 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.705 HD21 HD12 ' A' ' 92' ' ' LEU . 11.4 mt -44.88 -31.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.426 ' OE1' ' CB ' ' A' ' 88' ' ' ARG . 16.0 tt0 -57.68 -53.58 56.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 72.5 p -104.1 27.07 8.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.564 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -71.81 170.35 13.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.979 ' C ' HD13 ' A' ' 122' ' ' LEU . 5.8 mt -125.39 113.96 18.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.979 HD13 ' C ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -123.99 103.2 8.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -161.59 28.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.422 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 6.5 t0 49.18 41.97 20.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -120.15 126.14 26.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.499 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.95 125.79 9.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.547 1.814 . . . . 0.0 111.05 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -124.83 140.74 52.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.622 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.583 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 98.0 m95 -93.65 110.54 22.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 108.015 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -102.7 111.39 23.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -57.29 150.61 17.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.681 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -91.16 150.53 21.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 112' ' ' GLU . 16.2 pt20 -128.82 113.4 15.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 35.8 p -94.72 -54.01 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 96.93 7.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.158 . . . . 0.0 109.618 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -93.33 -52.82 4.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 42.76 89.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -120.92 175.01 15.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.18 3.73 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.08 165.0 6.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.3 t -113.15 126.11 55.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.49 142.84 3.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.42 155.87 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.059 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.49 142.09 3.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.5 p -161.87 167.91 23.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.753 . . . . 0.0 110.013 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.7 p -54.35 -172.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.4 160.62 29.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.62 -117.02 3.76 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -141.95 151.76 42.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.124 HD23 HD11 ' A' ' 12' ' ' ILE . 23.0 tp -131.94 138.61 48.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.458 ' OG ' ' CH2' ' A' ' 128' ' ' TRP . 66.7 m -98.51 115.32 28.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 1.124 HD11 HD23 ' A' ' 10' ' ' LEU . 4.4 mt -126.81 122.78 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.542 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.0 ttmt -100.31 114.04 27.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.745 ' HB3' HD23 ' A' ' 122' ' ' LEU . 65.2 mt -103.01 147.84 26.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.605 ' CE3' ' CG ' ' A' ' 124' ' ' ASP . 5.4 t-105 -158.72 135.82 9.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 107.982 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.663 ' HB2' HD13 ' A' ' 122' ' ' LEU . 65.3 t80 -100.87 137.91 38.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.476 ' OD1' ' CG2' ' A' ' 19' ' ' VAL . 26.0 t70 -112.66 109.09 18.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.4 -27.02 16.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.755 HG23 ' H ' ' A' ' 20' ' ' GLY . 12.2 m -48.56 -64.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.755 ' H ' HG23 ' A' ' 19' ' ' VAL . . . -100.91 0.22 55.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 80' ' ' SER . 34.8 m170 67.7 71.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 109.585 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 17' ' ' ASP . 1.0 OUTLIER -144.61 163.51 33.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.843 ' HB2' HG11 ' A' ' 82' ' ' VAL . 53.8 tp -117.0 117.87 30.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.642 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.3 mp -89.24 127.18 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -130.44 104.26 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -106.0 126.2 51.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.379 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.95 HG22 ' CE3' ' A' ' 73' ' ' TRP . 35.2 mm -98.34 91.76 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 126' ' ' PRO . 10.9 mt -54.92 -100.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.56 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -160.07 166.12 35.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.108 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.584 ' HB2' ' CD1' ' A' ' 10' ' ' LEU . . . -103.18 174.39 5.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -159.86 171.78 18.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.35 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LYS . 26.0 m-20 40.53 44.8 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.705 HD21 HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -79.04 142.8 60.28 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.447 ' O ' ' NH2' ' A' ' 42' ' ' ARG . 18.5 Cg_endo -74.97 91.64 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.78 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.471 ' CB ' HD21 ' A' ' 69' ' ' LEU . 4.8 t -62.23 -168.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -106.58 -172.79 2.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.276 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.1 mt-10 -43.97 169.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.93 62.86 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' GLU . . . -135.32 -92.67 0.4 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.69 157.48 76.47 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -161.68 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.641 HH12 HD23 ' A' ' 33' ' ' LEU . 6.0 ptt85 -135.48 -173.07 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -113.82 91.69 22.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HG2' ' HG3' ' A' ' 71' ' ' PRO . 18.4 Cg_endo -75.01 156.36 42.95 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.564 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.7 p90 -168.68 131.97 1.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.759 HG22 HD13 ' A' ' 96' ' ' LEU . 17.2 t -86.02 161.51 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.503 ' CD ' ' CE2' ' A' ' 49' ' ' TYR . 1.3 ttmm -148.67 112.17 5.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.232 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.716 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.6 mt -91.9 149.04 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.548 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 0.9 OUTLIER -152.81 99.85 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.656 ' CD2' HD21 ' A' ' 92' ' ' LEU . 14.9 t80 -65.0 89.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.546 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 46.7 mt -59.25 152.79 51.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.04 -21.2 15.65 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.959 -2.517 . . . . 0.0 110.979 0.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.503 ' O ' ' CG ' ' A' ' 54' ' ' ARG . 0.5 OUTLIER -40.51 137.38 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.538 ' HG3' HD23 ' A' ' 51' ' ' LEU . 19.3 mtm180 -170.1 90.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.14 -74.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' LYS . 2.2 t0 -158.63 -45.03 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.133 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -40.06 -57.22 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.462 ' ND2' ' OD2' ' A' ' 53' ' ' ASP . 39.1 m-80 -113.02 55.7 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.548 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 6.1 ttmt -116.8 84.23 2.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.569 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 31.8 mmt180 -88.45 119.07 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.96 138.66 45.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.461 HG21 ' HB ' ' A' ' 27' ' ' ILE . 73.7 p -83.12 169.08 16.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.35 145.77 55.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.2 m -81.09 117.09 21.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.631 HG11 HG21 ' A' ' 68' ' ' THR . 0.4 OUTLIER -87.06 143.07 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -107.69 136.59 47.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt 40.72 87.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.631 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.72 110.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.471 HD21 ' CB ' ' A' ' 35' ' ' SER . 63.3 mt -77.71 -16.96 58.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 31' ' ' LYS . 4.4 mt-10 -124.26 80.25 59.29 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.614 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.0 Cg_endo -75.0 146.88 33.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -130.41 94.02 3.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.95 ' CE3' HG22 ' A' ' 27' ' ' ILE . 3.0 m-90 -87.89 -42.7 12.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 73' ' ' TRP . 1.7 m120 37.62 40.47 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 26' ' ' THR . 2.4 mm100 -87.93 177.88 6.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -132.02 133.45 44.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 23.6 m-85 -135.11 113.02 10.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.1 mt -95.22 128.71 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.54 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.3 OUTLIER -116.13 114.08 23.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.487 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.16 160.13 43.75 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.2 Cg_endo -75.03 143.37 77.58 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.028 -2.488 . . . . 0.0 110.954 0.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 23' ' ' LEU . 22.4 t -135.7 128.6 47.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -111.83 169.73 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.542 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.406 ' HD3' ' CE2' ' A' ' 16' ' ' PHE . 10.3 tpt180 -79.93 -34.84 38.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -11.02 59.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.456 ' OE1' ' NH1' ' A' ' 90' ' ' ARG . 1.8 mm-40 -85.51 -3.74 58.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 4.2 m-30 -67.43 -36.84 82.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.475 ' N ' ' OE1' ' A' ' 118' ' ' GLU . 1.4 ptt180 -84.54 38.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -149.62 -32.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.251 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.575 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 1.1 mpp_? -129.72 125.89 36.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.622 ' HE1' ' HB3' ' A' ' 114' ' ' LEU . 0.8 OUTLIER -115.87 153.27 31.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.989 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.656 HD21 ' CD2' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -93.92 144.8 25.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.482 ' HG3' HD21 ' A' ' 114' ' ' LEU . 12.5 tt0 -134.08 92.84 3.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.648 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.6 mp -88.84 140.33 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.561 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -143.32 151.02 40.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.396 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.759 HD13 HG22 ' A' ' 46' ' ' VAL . 17.8 tp -113.86 137.41 51.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -143.76 165.51 27.46 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.418 ' HB3' ' CG ' ' A' ' 108' ' ' GLU . 2.7 t0 -121.03 129.07 53.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.63 102.24 8.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 106' ' ' GLU . . . -94.37 179.7 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 59.7 153.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.324 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.4 m -59.39 -38.06 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.8 mtt85 -115.77 156.72 25.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -62.86 124.71 21.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -176.45 -58.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 100' ' ' ALA . 21.9 mt-10 -101.62 105.14 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.1 m -116.15 122.95 46.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.418 ' CG ' ' HB3' ' A' ' 98' ' ' ASP . 0.7 OUTLIER -89.73 151.71 21.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.264 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.598 ' CZ ' ' C ' ' A' ' 111' ' ' GLY . 38.7 t80 -98.81 122.64 42.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.6 mt -85.93 -45.88 11.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.598 ' C ' ' CZ ' ' A' ' 109' ' ' PHE . . . -177.34 -169.4 38.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.561 ' CB ' HG22 ' A' ' 95' ' ' THR . 6.4 pt-20 -147.9 143.49 27.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.76 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.466 HD11 ' HG ' ' A' ' 131' ' ' LEU . 23.7 mt -128.88 109.43 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.622 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 0.1 OUTLIER -98.39 129.43 45.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.412 ' CD1' HG22 ' A' ' 113' ' ' ILE . 4.7 mt -137.43 123.94 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.587 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 2.0 mt-10 -89.6 126.05 35.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.57 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 20.2 mt -54.9 -39.42 68.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 88' ' ' ARG . 3.0 tp10 -57.0 -51.67 68.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.5 p -107.26 31.58 5.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 116' ' ' GLU . . . -77.95 157.07 29.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.8 mt -99.59 90.85 4.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.745 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.1 mt -105.22 118.34 36.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.454 ' C ' ' N ' ' A' ' 125' ' ' GLU . 3.8 t0 -176.03 36.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.605 ' CG ' ' CE3' ' A' ' 15' ' ' TRP . 11.0 m-20 38.75 31.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.478 ' O ' ' CE1' ' A' ' 127' ' ' HIS . 3.5 mt-10 -114.48 129.81 24.59 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.551 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 127.52 10.75 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.478 ' CE1' ' O ' ' A' ' 125' ' ' GLU . 20.9 m80 -125.43 141.27 52.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.577 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 93.5 m95 -92.19 105.85 17.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 108.024 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 127' ' ' HIS . 43.0 m-85 -95.2 114.33 26.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -61.36 140.6 57.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.466 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -87.28 143.78 27.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -120.11 116.06 24.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 62.0 p -103.43 118.01 35.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 64.49 64.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.5 95.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.5 t -156.35 -57.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.024 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 104.75 170.52 24.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.115 . . . . 0.0 111.032 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 119.46 5.67 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.474 1.776 . . . . 0.0 111.06 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.44 132.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.02 135.98 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.444 1.09 . . . . 0.0 110.992 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.36 129.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -76.8 177.92 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.013 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.16 109.21 2.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.144 . . . . 0.0 111.053 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 p -163.39 160.57 23.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 m 62.35 98.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.492 ' CA ' ' HB2' ' A' ' 131' ' ' LEU . . . -66.9 146.76 48.7 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.438 1.086 . . . . 0.0 111.033 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . -100.91 -133.01 7.97 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -150.13 118.39 6.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.668 HD23 HD11 ' A' ' 12' ' ' ILE . 36.5 tp -103.93 141.62 35.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.592 ' OG ' ' CE3' ' A' ' 128' ' ' TRP . 71.6 m -106.53 114.06 27.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.037 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.668 HD11 HD23 ' A' ' 10' ' ' LEU . 4.8 mt -126.53 129.38 71.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.521 ' CE ' HD21 ' A' ' 28' ' ' LEU . 4.1 ttmt -104.96 114.58 28.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.7 mt -102.21 147.16 26.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.429 ' CE3' ' HB2' ' A' ' 124' ' ' ASP . 3.8 t-105 -157.85 140.17 14.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 108.016 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.422 ' CD1' ' HZ ' ' A' ' 87' ' ' PHE . 68.9 t80 -104.05 146.29 28.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.705 ' CG ' HG22 ' A' ' 19' ' ' VAL . 5.8 t0 -122.1 118.2 28.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 -20.82 20.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.831 HG23 ' H ' ' A' ' 20' ' ' GLY . 6.0 m -45.97 -68.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.831 ' H ' HG23 ' A' ' 19' ' ' VAL . . . -109.75 5.84 31.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 80' ' ' SER . 29.8 m80 67.11 68.56 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.536 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -130.06 160.24 34.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.688 ' HB2' HG11 ' A' ' 82' ' ' VAL . 25.1 tp -111.98 114.56 27.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.59 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.5 mp -84.32 132.88 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 t -138.04 103.24 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -106.34 118.24 36.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.436 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.898 HG13 HD11 ' A' ' 48' ' ' ILE . 35.1 mm -89.1 97.43 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 126' ' ' PRO . 12.7 mt -61.12 -100.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.58 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -163.15 160.08 32.63 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.656 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -92.84 175.44 6.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.599 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -159.96 162.78 34.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 52.13 50.9 17.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.656 HD21 ' HB1' ' A' ' 30' ' ' ALA . 29.4 mt -86.48 157.16 56.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.426 ' CG ' HD22 ' A' ' 110' ' ' LEU . 18.5 Cg_endo -74.98 128.88 11.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 0.0 111.047 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.6 p -105.41 -173.02 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -123.14 166.13 15.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -51.64 171.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 37' ' ' GLU . 13.1 m-20 62.64 -74.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 37' ' ' GLU . . . 157.5 46.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.27 117.35 57.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.434 ' HG2' ' CB ' ' A' ' 67' ' ' LYS . 18.3 Cg_endo -74.98 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' NH1' ' OD2' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -141.83 -175.23 4.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 16.6 m-20 -115.21 89.01 19.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 169.09 23.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.584 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.0 OUTLIER -179.18 127.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.764 HG23 ' CZ2' ' A' ' 73' ' ' TRP . 6.6 t -87.74 159.15 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HD3' ' CE2' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -148.64 108.16 3.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.898 HD11 HG13 ' A' ' 27' ' ' ILE . 2.7 mt -92.36 153.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.506 ' O ' HD13 ' A' ' 51' ' ' LEU . 1.1 m-85 -154.91 98.11 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -61.58 96.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 49' ' ' TYR . 5.4 mp -69.84 160.89 78.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.2 Cg_endo -75.05 -171.81 9.92 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.963 0.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 t0 68.35 153.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -145.83 102.34 3.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.65 -178.63 2.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 57' ' ' LYS . 5.5 t0 -61.75 -178.84 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER 82.15 -72.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -100.96 36.26 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 5.3 ttpt -117.95 153.83 32.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.539 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 41.5 mmt180 -142.26 122.34 13.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -133.39 149.21 51.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.499 HG22 ' CE2' ' A' ' 77' ' ' PHE . 68.9 p -98.33 173.43 6.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.435 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 142.86 54.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.3 m -80.31 113.12 18.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.752 HG11 HG21 ' A' ' 68' ' ' THR . 1.5 t -79.14 146.91 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -120.37 130.67 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.434 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 13.0 mttp 49.8 88.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.752 HG21 HG11 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -176.96 114.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.5 mt -74.32 -20.05 60.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -130.25 89.82 43.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.401 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.4 Cg_endo -74.97 152.95 41.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -140.62 103.08 4.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.858 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.1 m-90 -95.61 -45.79 6.9 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.3 OUTLIER 40.66 37.43 0.48 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.406 ' O ' HG23 ' A' ' 26' ' ' THR . 2.7 mm100 -87.54 177.61 7.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 m -128.57 140.17 51.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.539 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 30.7 m-85 -143.27 114.76 8.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.5 mt -96.37 145.86 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 0.5 OUTLIER -135.45 111.0 9.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.488 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -147.81 160.27 38.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.985 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -75.02 143.97 79.45 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.972 -2.512 . . . . 0.0 110.984 0.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.688 HG11 ' HB2' ' A' ' 23' ' ' LEU . 4.3 t -129.23 128.58 66.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.579 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 21.7 m170 -105.14 170.28 7.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.599 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' HD2' ' CE2' ' A' ' 87' ' ' PHE . 1.0 OUTLIER -85.76 -33.48 21.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -1.19 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 110.295 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -91.44 -35.35 14.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CE1' ' O ' ' A' ' 83' ' ' HIS . 13.7 m-30 -36.18 -31.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -65.24 -77.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -61.59 -21.41 64.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 87' ' ' PHE . 7.9 mpt_? -106.63 108.03 19.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.56 ' HE3' ' HG2' ' A' ' 116' ' ' GLU . 4.2 ttt -122.92 150.75 42.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.542 HD12 HD21 ' A' ' 117' ' ' LEU . 15.9 mt -92.49 147.52 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.519 ' HG3' HD21 ' A' ' 114' ' ' LEU . 7.2 tt0 -137.14 98.28 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 94' ' ' ILE . 2.8 mp -96.4 142.47 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.539 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.7 OUTLIER -144.65 141.59 29.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.74 HD13 HG22 ' A' ' 46' ' ' VAL . 17.4 tp -110.43 137.97 47.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.4 OUTLIER -144.39 165.9 26.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 108.042 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.444 ' OD2' ' NH1' ' A' ' 42' ' ' ARG . 1.6 t0 -125.67 112.29 15.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.19 100.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -112.9 -170.71 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 49.65 -161.23 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 1.2 p -170.15 -48.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -106.06 63.31 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 167.33 -33.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 67.36 96.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -128.81 119.57 24.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 110.258 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 p -98.36 122.71 41.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.5 ' OE2' HD21 ' A' ' 110' ' ' LEU . 18.7 pt-20 -77.93 -9.73 59.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 21.3 t80 41.76 90.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.718 HD12 ' HG ' ' A' ' 96' ' ' LEU . 60.8 mt -57.39 -39.44 76.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.554 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 167.42 -179.02 41.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.539 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.1 pt-20 -131.69 135.24 46.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.556 0.798 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.781 HD11 ' CD2' ' A' ' 131' ' ' LEU . 7.8 mt -120.35 105.64 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.525 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 0.2 OUTLIER -97.97 133.88 41.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.555 HD12 HD13 ' A' ' 94' ' ' ILE . 4.8 mt -136.91 120.72 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.56 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 4.2 mt-10 -87.16 121.15 29.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 92' ' ' LEU . 10.8 mt -45.3 -53.79 7.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.451 ' N ' ' HB3' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -45.82 -28.39 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 116' ' ' GLU . 1.5 p -122.61 28.69 7.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -92.91 107.01 18.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 1.006 ' O ' HD12 ' A' ' 121' ' ' LEU . 3.9 pp -64.14 99.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.66 124.95 45.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.426 ' C ' ' N ' ' A' ' 125' ' ' GLU . 1.6 t0 176.12 39.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.429 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 29.5 t70 38.72 32.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 123' ' ' ASP . 5.0 mt-10 -107.6 121.27 44.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.597 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.97 122.95 7.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.457 1.767 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.84 139.7 53.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.573 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.599 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 84.6 m95 -87.52 122.5 31.32 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -113.25 115.44 28.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 11.2 mtmt -63.81 154.43 33.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.781 ' CD2' HD11 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -93.93 157.01 16.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -128.24 113.08 15.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 16.6 p -105.59 92.52 4.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.3 77.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.65 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.98 161.23 28.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 41.2 t -129.83 -57.18 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -168.71 172.78 43.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.444 1.09 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.67 24.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.3 91.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 46.2 t -155.4 -58.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.47 -61.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.009 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -134.58 156.26 48.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.968 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.0 -159.43 22.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 m 61.41 161.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 0.741 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.4 p -117.02 162.48 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.91 142.15 25.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 130' ' ' LYS . . . -114.67 -129.66 4.76 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -145.79 119.75 9.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 0.774 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.56 HD13 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -104.23 132.24 50.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 128' ' ' TRP . 6.5 t -95.6 127.2 41.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.56 HD11 HD13 ' A' ' 10' ' ' LEU . 15.9 mt -141.6 167.04 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.616 ' HB2' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -133.89 132.59 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.598 HD23 ' HB ' ' A' ' 25' ' ' VAL . 7.5 mt -128.04 149.99 50.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -157.42 155.22 30.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.695 ' HB2' HD13 ' A' ' 122' ' ' LEU . 45.0 t80 -120.08 122.71 41.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -101.86 93.03 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -20.85 65.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.5 t -51.54 -71.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.84 2.9 62.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 65.74 53.21 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 109.586 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.467 ' HB3' HG23 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -121.38 143.84 48.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.66 ' HB2' HG11 ' A' ' 82' ' ' VAL . 10.7 tp -97.33 115.12 27.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.557 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.4 mp -88.84 135.48 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.598 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -150.93 126.72 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.831 HG22 HD12 ' A' ' 28' ' ' LEU . 1.2 m -123.23 125.11 44.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.961 HG13 HD11 ' A' ' 48' ' ' ILE . 41.4 mm -85.79 86.31 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.858 HD21 ' HB3' ' A' ' 126' ' ' PRO . 0.2 OUTLIER -49.94 -99.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.62 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -164.32 159.59 32.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.571 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -93.57 169.84 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.589 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -157.39 167.27 30.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 50.59 49.06 21.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.571 HD21 ' HB1' ' A' ' 30' ' ' ALA . 20.1 mt -85.79 151.19 54.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 113.68 3.85 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.453 ' HA ' ' NH1' ' A' ' 42' ' ' ARG . 39.4 p -83.8 -172.62 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' O ' ' CG ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -107.23 -65.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER 167.18 173.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 41.19 30.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.343 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 37' ' ' GLU . . . 63.01 56.62 19.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -107.95 104.31 52.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' HB2' ' HA ' ' A' ' 67' ' ' LYS . 18.2 Cg_endo -74.99 -161.68 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.453 ' NH1' ' HA ' ' A' ' 35' ' ' SER . 0.4 OUTLIER -158.4 -172.38 3.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 28.2 m-20 -116.55 82.21 12.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 165.18 31.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.767 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.594 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.2 p90 -171.81 136.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.707 ' CG2' ' CH2' ' A' ' 73' ' ' TRP . 5.2 t -89.2 160.24 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -143.82 106.99 4.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.961 HD11 HG13 ' A' ' 27' ' ' ILE . 1.7 mt -91.67 150.58 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.488 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 2.4 m-85 -154.59 102.64 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.506 ' CD1' HD21 ' A' ' 92' ' ' LEU . 48.0 t80 -74.28 92.19 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 111.055 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.602 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -80.3 156.06 74.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.602 ' HA ' ' HB3' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.0 132.37 27.33 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.02 -0.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 0.3 OUTLIER 159.81 155.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -175.46 168.78 3.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 2.5 t 84.86 -59.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -164.39 -165.59 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.35 -73.27 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -106.61 35.96 2.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.488 ' HG3' ' CE1' ' A' ' 49' ' ' TYR . 3.5 ttpt -103.02 128.12 49.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.566 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -142.5 131.57 23.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -139.12 146.65 40.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.419 HG21 ' HB ' ' A' ' 27' ' ' ILE . 61.6 p -83.33 172.45 12.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.59 144.03 55.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.513 HG21 ' OE1' ' A' ' 99' ' ' GLN . 16.7 m -80.2 116.23 20.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.739 HG11 HG21 ' A' ' 68' ' ' THR . 1.4 t -79.39 148.09 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 67' ' ' LYS . 12.3 mmtt -113.15 123.31 49.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 41' ' ' PRO . 32.7 mtpt 48.14 95.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.739 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -177.97 114.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 69' ' ' LEU . 21.7 mt -73.84 -20.82 60.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -129.28 90.87 43.47 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.546 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.3 Cg_endo -75.0 152.9 41.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -140.36 103.12 4.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.883 ' CE3' HG22 ' A' ' 27' ' ' ILE . 2.3 m-90 -101.58 -47.7 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 108.021 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER 38.91 38.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.715 ' O ' HG23 ' A' ' 26' ' ' THR . 1.7 mm100 -80.03 177.07 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.264 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.515 ' O ' ' CD1' ' A' ' 77' ' ' PHE . 20.8 m -117.23 140.75 49.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 110.368 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 60' ' ' ARG . 30.0 m-85 -148.43 114.5 5.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 22' ' ' GLN . 5.1 mt -104.05 145.12 13.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.536 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 7.2 m-85 -135.08 110.93 9.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -146.66 160.43 41.28 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.0 142.49 74.91 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.97 0.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.66 HG11 ' HB2' ' A' ' 23' ' ' LEU . 11.2 t -132.68 117.5 30.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -105.41 157.33 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.61 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -67.84 -29.17 68.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -6.18 55.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 90' ' ' ARG . 1.3 mm-40 -99.8 -12.45 19.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 3.7 m-30 -55.71 -53.93 50.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -64.02 -11.46 29.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -110.42 -1.63 16.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -144.88 122.06 11.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -126.44 148.96 49.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.961 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.704 HD23 HD21 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -93.75 143.66 26.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.516 ' CB ' HD11 ' A' ' 51' ' ' LEU . 21.8 tt0 -131.03 97.68 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.788 HD13 HD12 ' A' ' 115' ' ' ILE . 2.9 mp -97.21 131.01 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.71 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.8 OUTLIER -129.67 148.96 51.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.499 HD13 HG22 ' A' ' 46' ' ' VAL . 20.2 tp -115.46 138.87 50.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.579 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 2.7 m95 -140.76 176.3 8.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 2.1 t0 -130.72 99.07 4.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.513 ' OE1' HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER -50.59 94.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 106' ' ' GLU . . . -81.59 -68.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.415 ' C ' HG12 ' A' ' 102' ' ' VAL . 4.7 mmt180 -93.67 -69.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.445 HG22 ' CD ' ' A' ' 103' ' ' ARG . 1.2 p 176.22 148.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.445 ' CD ' HG22 ' A' ' 102' ' ' VAL . 2.5 mtt180 60.09 -179.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -90.17 59.02 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -124.1 -67.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.554 ' O ' ' HB3' ' A' ' 100' ' ' ALA . 10.4 mt-10 -98.89 48.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.79 153.71 24.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.66 127.03 51.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.61 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 39.4 t80 -71.95 112.86 8.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 90.3 mt -80.16 -27.4 39.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.61 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 153.88 170.35 19.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.71 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.4 pt-20 -132.43 136.42 46.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 0.761 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.628 HD11 HD22 ' A' ' 131' ' ' LEU . 23.7 mt -117.5 121.98 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 93' ' ' GLU . 0.2 OUTLIER -107.24 135.74 48.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.788 HD12 HD13 ' A' ' 94' ' ' ILE . 7.8 mt -135.05 118.07 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.452 ' CG ' ' HE3' ' A' ' 91' ' ' MET . 39.2 mt-10 -88.49 113.6 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.704 HD21 HD23 ' A' ' 92' ' ' LEU . 17.5 mt -50.85 -29.13 11.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -53.69 -52.4 60.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.6 p -117.15 26.13 9.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -66.52 149.81 49.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.9 90.75 8.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.695 HD13 ' HB2' ' A' ' 16' ' ' PHE . 7.0 mt -106.43 106.96 17.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -171.71 34.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 22.8 t0 48.8 25.08 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -115.0 108.55 48.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.858 ' HB3' HD21 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.95 130.98 13.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -125.75 144.19 50.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.617 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.589 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 86.2 m95 -78.69 125.0 28.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.055 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.464 ' HB2' HD13 ' A' ' 113' ' ' ILE . 45.8 m-85 -112.04 129.94 56.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 8' ' ' GLY . 2.7 mtmt -66.09 157.3 31.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.639 ' CD2' ' N ' ' A' ' 131' ' ' LEU . 0.1 OUTLIER -95.93 165.98 12.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -128.61 112.42 14.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 44.2 p -107.72 2.03 23.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.38 159.32 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.658 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -134.08 151.37 51.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.1 m -120.94 128.44 52.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 54.02 175.13 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.576 1.172 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.11 29.87 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.76 80.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 10.0 t 47.98 84.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.995 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 t -163.9 152.47 13.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.767 . . . . 0.0 109.96 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -159.91 163.99 33.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.51 -154.1 8.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.0 m -155.31 162.37 40.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 110.031 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -171.08 161.69 6.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.011 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.48 152.18 16.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.45 -129.9 2.51 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -139.07 135.08 33.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.596 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -115.84 136.56 52.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.568 ' HB2' ' CH2' ' A' ' 128' ' ' TRP . 2.4 t -102.36 120.44 40.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.596 HD11 HD13 ' A' ' 10' ' ' LEU . 7.5 mt -132.7 131.72 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.771 ' CE ' HD21 ' A' ' 28' ' ' LEU . 2.4 ttmt -106.05 114.8 29.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.439 ' CD2' HG13 ' A' ' 25' ' ' VAL . 88.4 mt -105.35 145.27 30.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.41 ' O ' ' HB ' ' A' ' 24' ' ' ILE . 3.6 t-105 -154.22 132.84 12.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.027 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.464 ' HE1' HG12 ' A' ' 82' ' ' VAL . 65.7 t80 -91.38 148.7 22.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.518 ' OD2' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -122.56 112.32 17.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.92 -24.2 16.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.163 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.726 HG23 ' H ' ' A' ' 20' ' ' GLY . 13.3 m -50.24 -63.48 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.726 ' H ' HG23 ' A' ' 19' ' ' VAL . . . -104.25 1.54 43.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.485 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 89.1 m-70 68.03 62.87 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 0.788 . . . . 0.0 109.57 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -129.77 174.55 9.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.83 ' HB2' HG11 ' A' ' 82' ' ' VAL . 59.7 tp -127.57 115.17 18.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.687 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.3 mp -86.14 133.3 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.439 HG13 ' CD2' ' A' ' 14' ' ' LEU . 40.8 t -136.08 96.88 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.9 125.11 40.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.873 HG13 HD11 ' A' ' 48' ' ' ILE . 49.9 mm -96.93 91.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.771 HD21 ' CE ' ' A' ' 13' ' ' LYS . 15.4 mt -53.99 -100.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.582 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -158.35 170.26 35.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.441 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -107.47 164.2 12.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.557 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -157.44 151.65 24.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t0 73.73 42.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.441 HD21 ' HB1' ' A' ' 30' ' ' ALA . 19.4 mt -91.62 157.56 41.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 142.75 28.4 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.485 1.781 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.965 ' CB ' HD21 ' A' ' 69' ' ' LEU . 64.1 p -145.14 -172.4 3.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.042 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -105.3 131.88 52.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -48.16 -80.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -110.28 40.01 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -117.22 -118.89 2.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -144.09 160.66 48.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 0.794 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HG2' ' CB ' ' A' ' 67' ' ' LYS . 18.3 Cg_endo -75.03 -161.9 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -137.11 -174.86 3.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -116.18 90.42 28.88 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 162.05 37.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.584 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 1.9 p90 -173.38 131.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.867 HG22 HD13 ' A' ' 96' ' ' LEU . 19.7 t -86.32 162.15 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.401 ' N ' HG12 ' A' ' 46' ' ' VAL . 14.8 ttpt -149.18 110.36 4.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.873 HD11 HG13 ' A' ' 27' ' ' ILE . 3.3 mt -92.04 149.89 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -153.93 98.75 2.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.589 ' CZ ' HD11 ' A' ' 117' ' ' LEU . 0.8 OUTLIER -75.18 108.62 8.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.518 ' HA ' ' C ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -73.09 155.15 90.46 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.07 -168.99 6.96 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.965 -2.515 . . . . 0.0 110.976 0.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.2 m-20 77.01 135.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' C ' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -134.34 27.1 3.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' ASP . 36.0 t -137.93 110.6 7.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' SER . 1.4 t0 40.13 -154.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt 67.97 -82.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -111.25 49.51 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 3.1 ttpt -120.02 112.0 18.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.3 mmt-85 -113.63 120.58 41.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.45 139.77 53.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.8 p -82.58 168.62 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.399 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.02 145.07 52.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.1 m -80.63 115.19 20.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.552 HG11 HG21 ' A' ' 68' ' ' THR . 0.6 OUTLIER -85.06 147.21 5.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -119.69 138.76 53.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.453 ' CB ' ' HG2' ' A' ' 41' ' ' PRO . 22.2 mtpt 44.59 85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.552 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.15 112.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.421 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.965 HD21 ' CB ' ' A' ' 35' ' ' SER . 4.5 mp -75.45 -19.61 59.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -128.12 87.39 55.6 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.4 Cg_endo -74.99 152.33 40.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.789 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -137.73 97.21 3.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.809 ' CZ2' HG23 ' A' ' 46' ' ' VAL . 4.6 m-90 -89.56 -43.35 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 107.996 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER 38.81 40.61 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -88.02 -176.77 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 m -137.17 130.16 30.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' VAL . 27.2 m-85 -131.39 113.6 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 12.3 mt -94.87 137.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.516 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 1.6 m-85 -127.2 113.87 16.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.516 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -145.59 161.28 41.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.987 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.516 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -75.0 144.64 81.59 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.002 -2.499 . . . . 0.0 110.958 0.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.83 HG11 ' HB2' ' A' ' 23' ' ' LEU . 24.8 t -137.37 121.53 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -110.29 160.76 16.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.615 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -77.05 -13.07 60.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.26 -5.88 42.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -97.33 -16.24 20.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.54 ' CD1' ' HB3' ' A' ' 117' ' ' LEU . 3.3 m-30 -50.56 -56.25 12.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -57.12 -16.23 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -114.6 25.24 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.643 ' HB3' HD12 ' A' ' 117' ' ' LEU . 3.2 mtt180 -160.07 145.85 15.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.493 ' CE ' ' HB3' ' A' ' 114' ' ' LEU . 1.1 ttt -145.8 141.27 27.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.7 mt -93.31 151.42 19.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.476 ' C ' HD12 ' A' ' 94' ' ' ILE . 18.9 tt0 -138.27 115.01 10.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.812 ' N ' HD12 ' A' ' 94' ' ' ILE . 1.9 mp -114.41 145.92 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.505 HG22 ' CB ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -145.56 143.49 29.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.867 HD13 HG22 ' A' ' 46' ' ' VAL . 17.7 tp -112.62 133.14 54.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' TYR . 0.1 OUTLIER -140.21 173.75 11.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 107.982 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 100' ' ' ALA . 0.9 OUTLIER -130.38 112.65 13.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.83 90.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' ASP . . . -95.05 -172.25 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 49.26 -178.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 103' ' ' ARG . 26.0 m -116.12 -45.91 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.406 ' N ' HG23 ' A' ' 102' ' ' VAL . 36.8 mtt85 -138.01 90.31 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 171.86 156.39 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -87.57 43.52 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.73 121.74 28.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 p -123.98 123.31 40.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -78.15 -24.62 47.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.317 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 111' ' ' GLY . 55.1 t80 53.26 105.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.63 HD12 ' HG ' ' A' ' 96' ' ' LEU . 52.3 mt -77.3 -34.44 55.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.473 ' O ' ' CE1' ' A' ' 109' ' ' PHE . . . 169.57 -173.25 43.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.505 ' CB ' HG22 ' A' ' 95' ' ' THR . 3.2 pt-20 -143.01 140.82 31.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 110.306 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.452 HD11 ' HG ' ' A' ' 131' ' ' LEU . 26.3 mt -125.72 116.09 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.493 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -107.55 134.3 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.7 mt -135.75 124.71 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 120' ' ' ALA . 20.3 mt-10 -89.7 125.67 35.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 90' ' ' ARG . 10.5 mt -54.65 -36.76 64.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -52.92 -51.54 60.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.1 p -107.14 26.15 10.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -71.04 165.43 23.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.998 ' C ' HD13 ' A' ' 122' ' ' LEU . 10.7 mt -124.39 112.39 16.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.998 HD13 ' C ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -125.05 87.84 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.44 32.26 1.32 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 48.29 35.63 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.087 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -116.44 123.1 31.04 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.739 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.96 124.28 8.53 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.507 1.793 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -123.45 134.75 53.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.606 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 11' ' ' SER . 90.3 m95 -88.34 106.47 18.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 107.983 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -90.86 142.1 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -76.26 145.58 39.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.452 ' HG ' HD11 ' A' ' 113' ' ' ILE . 0.8 OUTLIER -93.7 140.71 29.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -114.05 117.27 30.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 7.0 p -99.89 97.37 8.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.75 163.32 38.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.631 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -93.26 149.87 20.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.9 p -170.36 159.06 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.012 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -151.3 172.25 30.85 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.15 8.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 85.2 p -123.16 87.38 2.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.9 t 50.05 95.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 110.972 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 p -158.1 147.5 19.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 t 63.15 166.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 110.022 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.51 -157.94 15.55 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 172.69 177.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.021 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 m 57.71 -177.45 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.22 164.73 31.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.478 1.111 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -117.84 -130.3 4.27 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -128.45 137.87 52.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.496 HD23 ' H ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -119.23 140.39 50.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.496 ' H ' HD23 ' A' ' 10' ' ' LEU . 3.3 t -108.99 122.28 46.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.403 HD11 HD13 ' A' ' 10' ' ' LEU . 4.8 mt -132.28 132.94 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.816 ' CE ' HD21 ' A' ' 28' ' ' LEU . 4.8 ttmt -106.76 125.85 51.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.46 HD23 ' HB ' ' A' ' 25' ' ' VAL . 11.4 mt -119.34 149.26 42.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.474 ' CA ' ' HB3' ' A' ' 122' ' ' LEU . 4.3 t-105 -155.84 130.15 8.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.569 ' HE1' HG12 ' A' ' 82' ' ' VAL . 44.0 t80 -95.91 119.76 34.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' HIS . 1.0 OUTLIER -95.91 81.14 3.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -18.77 59.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.6 -71.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.41 1.67 82.29 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.455 ' CE1' ' CE1' ' A' ' 83' ' ' HIS . 30.2 m80 62.42 54.28 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.97 150.43 50.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.843 ' HB2' HG11 ' A' ' 82' ' ' VAL . 17.8 tp -101.35 117.98 36.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.581 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.5 mp -93.92 123.71 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.5 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -135.69 105.71 5.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -102.58 115.66 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.404 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.987 HG13 HD11 ' A' ' 48' ' ' ILE . 46.1 mm -78.6 96.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.816 HD21 ' CE ' ' A' ' 13' ' ' LYS . 16.7 mt -59.28 -100.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.503 ' HA2' ' CE3' ' A' ' 73' ' ' TRP . . . -162.61 159.32 31.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.424 1.077 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.861 ' HB1' HD21 ' A' ' 33' ' ' LEU . . . -95.91 163.05 13.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.562 ' HG2' ' CH2' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -156.13 168.58 26.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 48.21 40.04 13.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.861 HD21 ' HB1' ' A' ' 30' ' ' ALA . 56.3 mt -74.39 157.06 86.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.454 ' O ' ' NH2' ' A' ' 42' ' ' ARG . 18.5 Cg_endo -74.98 95.03 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.797 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.482 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 8.5 t -89.4 -130.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER 71.39 173.86 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 65.05 133.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t70 73.69 -59.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.71 -43.72 1.32 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -86.06 163.44 43.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.767 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.511 ' HG2' ' HB2' ' A' ' 67' ' ' LYS . 18.2 Cg_endo -75.06 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.781 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.494 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -137.4 -170.67 2.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 110.327 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.712 HD22 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -113.41 83.48 6.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 42' ' ' ARG . 18.4 Cg_endo -75.01 166.58 28.89 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.609 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 34.7 p90 -170.17 122.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.869 HG22 HD13 ' A' ' 96' ' ' LEU . 7.3 t -77.28 158.16 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.57 111.31 6.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.987 HD11 HG13 ' A' ' 27' ' ' ILE . 3.5 mt -91.53 146.63 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 59' ' ' LYS . 0.9 OUTLIER -154.73 98.64 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.637 ' CZ ' HD11 ' A' ' 117' ' ' LEU . 7.7 t80 -66.36 104.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.647 HD11 ' HB2' ' A' ' 93' ' ' GLU . 60.7 mt -73.93 151.35 88.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 51' ' ' LEU . 18.3 Cg_endo -75.04 -167.42 5.64 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.989 -2.504 . . . . 0.0 110.977 0.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.3 t70 81.29 145.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.428 ' C ' ' CE1' ' A' ' 49' ' ' TYR . 1.5 mtp180 -140.02 29.63 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 91.9 p -111.52 179.59 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -57.83 -166.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 72.97 -72.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -93.42 33.52 1.23 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 1.1 ttpt -125.92 132.77 52.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.528 ' HD2' ' CD1' ' A' ' 77' ' ' PHE . 14.2 mmt180 -131.86 122.45 25.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.91 137.75 54.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.264 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.471 HG21 HG21 ' A' ' 27' ' ' ILE . 80.5 p -81.44 168.47 18.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.72 144.97 56.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.618 HG21 ' OE1' ' A' ' 99' ' ' GLN . 2.0 m -80.97 115.24 20.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.969 HG11 HG21 ' A' ' 68' ' ' THR . 2.0 t -70.42 174.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.568 ' H ' HG12 ' A' ' 65' ' ' VAL . 13.7 mmtt -126.73 128.29 46.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.567 ' C ' ' O ' ' A' ' 66' ' ' LYS . 20.0 pttt 26.9 84.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.969 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -160.85 126.65 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 33' ' ' LEU . 96.3 mt -81.82 -23.51 36.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -120.22 84.1 33.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.833 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.2 Cg_endo -74.99 132.8 15.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.537 1.809 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -117.43 102.55 9.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.735 ' CE3' HG22 ' A' ' 27' ' ' ILE . 5.0 m-90 -97.4 -46.09 6.21 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER 40.11 38.04 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' ' 26' ' ' THR . 0.1 OUTLIER -85.57 -177.97 6.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.5 m -131.28 146.26 52.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.528 ' CD1' ' HD2' ' A' ' 60' ' ' ARG . 55.3 m-85 -148.14 113.43 5.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.1 mt -98.11 133.25 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.523 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 3.5 m-85 -125.8 111.92 15.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.514 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -145.92 161.08 41.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.514 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.3 Cg_endo -74.97 142.43 74.74 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.029 -0.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 23' ' ' LEU . 15.7 t -134.38 104.72 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.455 ' CE1' ' CE1' ' A' ' 21' ' ' HIS . 17.7 m-70 -99.27 150.66 21.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.627 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -61.97 -13.04 21.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.97 -1.95 48.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -96.55 -30.48 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.337 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 7.4 m-30 -39.2 -33.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.033 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 89' ' ' GLU . 25.4 ttp85 -67.34 127.71 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 88' ' ' ARG . 37.2 mt-10 82.95 -45.47 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -83.98 107.4 16.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.788 ' CE ' HD12 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -119.66 161.1 21.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.897 HD12 HD21 ' A' ' 117' ' ' LEU . 2.5 mt -93.47 148.04 22.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.647 ' HB2' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -134.03 100.19 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.671 ' N ' HD12 ' A' ' 94' ' ' ILE . 1.9 mp -108.63 134.7 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.626 HG22 ' CB ' ' A' ' 112' ' ' GLU . 0.9 OUTLIER -138.65 145.28 40.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.401 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.869 HD13 HG22 ' A' ' 46' ' ' VAL . 27.3 tp -111.3 131.35 55.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.482 ' CE2' ' HB ' ' A' ' 95' ' ' THR . 0.1 OUTLIER -139.53 167.75 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.016 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 100' ' ' ALA . 1.8 t0 -118.55 114.82 23.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.618 ' OE1' HG21 ' A' ' 64' ' ' THR . 0.0 OUTLIER -59.15 82.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 98' ' ' ASP . . . -75.92 -88.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -72.34 159.7 33.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.31 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.2 m -72.74 -174.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 51.5 -175.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.26 83.91 4.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 179.48 174.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 54.11 82.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 p -113.67 145.33 41.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.006 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.429 ' OE2' ' C ' ' A' ' 109' ' ' PHE . 1.2 pp20? -100.49 -24.52 14.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CE1' ' C ' ' A' ' 111' ' ' GLY . 35.0 t80 56.15 111.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 110' ' ' LEU . 18.0 mt -82.51 -38.2 24.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.502 ' C ' ' CE1' ' A' ' 109' ' ' PHE . . . 173.32 173.79 39.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.626 ' CB ' HG22 ' A' ' 95' ' ' THR . 2.9 pt-20 -131.54 133.66 45.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.651 HD11 ' HG ' ' A' ' 131' ' ' LEU . 12.9 mt -122.67 109.75 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.788 HD12 ' CE ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -105.39 138.65 41.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.259 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.5 mp -136.72 126.77 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.471 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 37.1 mt-10 -87.25 118.74 26.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.897 HD21 HD12 ' A' ' 92' ' ' LEU . 14.8 mt -55.46 -33.0 63.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -55.62 -48.36 75.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.8 p -111.26 24.37 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.549 ' HB2' ' HA ' ' A' ' 117' ' ' LEU . . . -71.84 166.99 20.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.86 ' O ' HD12 ' A' ' 121' ' ' LEU . 2.3 pp -124.27 115.09 20.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.838 HD22 ' N ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -125.19 101.54 7.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -157.39 27.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.404 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 48.7 t0 55.07 44.08 28.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -120.87 121.88 28.68 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.693 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.02 124.09 8.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -123.55 144.81 49.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.565 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 93.8 m95 -99.03 104.96 17.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 108.019 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.604 ' OH ' HD11 ' A' ' 121' ' ' LEU . 86.4 m-85 -92.11 121.87 34.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -61.23 142.49 56.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.651 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -92.17 137.91 31.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -120.84 116.85 25.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.246 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 56.7 p -94.15 106.52 18.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.64 162.08 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.616 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -45.53 -53.64 8.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.85 156.8 0.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -98.26 170.21 24.48 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 164.01 34.3 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.534 1.808 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.9 m -141.39 133.98 28.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.024 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.04 161.2 18.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.046 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -143.32 -56.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 110.05 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.2 m 42.02 85.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.29 146.55 18.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -107.64 88.06 2.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.052 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 m -101.99 122.49 44.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.964 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.88 152.5 5.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.152 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.45 -131.21 2.79 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -139.95 143.81 36.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.672 HD13 ' HB2' ' A' ' 30' ' ' ALA . 46.0 tp -129.56 141.28 51.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.595 ' OG ' ' CZ3' ' A' ' 128' ' ' TRP . 75.4 m -105.56 109.81 21.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.04 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.641 HD11 HD23 ' A' ' 10' ' ' LEU . 6.2 mt -119.22 122.88 70.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.601 ' CE ' HD21 ' A' ' 28' ' ' LEU . 5.3 ttmt -103.09 114.47 28.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' CD2' ' HB ' ' A' ' 25' ' ' VAL . 19.6 mt -105.04 154.77 19.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.445 ' HB3' ' CG2' ' A' ' 24' ' ' ILE . 17.4 t-105 -158.39 156.81 31.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 108.011 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.61 ' HB2' HD13 ' A' ' 122' ' ' LEU . 25.0 t80 -123.68 122.95 39.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -100.88 80.0 2.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.28 -17.06 16.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.4 t -57.89 -62.88 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.86 6.07 47.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.4 m80 60.49 57.93 2.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 109.566 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.62 133.53 47.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.777 ' HB2' HG11 ' A' ' 82' ' ' VAL . 8.7 tp -85.15 122.36 29.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.504 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.6 mp -96.74 133.52 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.466 ' HB ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -145.69 107.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 75' ' ' GLN . 1.0 OUTLIER -104.48 130.98 52.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.448 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.021 HG22 ' CE3' ' A' ' 73' ' ' TRP . 50.4 mm -93.84 92.25 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.601 HD21 ' CE ' ' A' ' 13' ' ' LYS . 9.6 mt -56.44 -100.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.555 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -161.19 158.73 30.43 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.672 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -96.39 173.1 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.567 ' HG2' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -163.96 166.41 21.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 54.37 38.07 28.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.596 HD21 ' HB1' ' A' ' 30' ' ' ALA . 18.8 mt -76.36 157.49 82.67 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.451 ' O ' ' NE ' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -75.04 110.7 3.17 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.445 1.761 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.523 ' HB2' ' CD1' ' A' ' 69' ' ' LEU . 13.5 t -106.93 -178.86 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.041 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' N ' ' OG ' ' A' ' 35' ' ' SER . 10.4 mtt-85 -130.47 140.09 50.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -46.49 -84.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -113.6 42.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 40' ' ' ARG . . . -126.19 36.76 2.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER 56.98 157.88 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.524 ' O ' ' CB ' ' A' ' 42' ' ' ARG . 18.3 Cg_endo -75.02 -94.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER 156.76 174.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -117.07 95.37 46.96 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 147.18 33.48 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.481 1.78 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.788 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -162.57 134.68 5.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.938 HG22 HD13 ' A' ' 96' ' ' LEU . 12.7 t -97.22 150.27 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -134.77 108.46 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.858 HD11 HG13 ' A' ' 27' ' ' ILE . 3.2 mt -90.9 150.84 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 59' ' ' LYS . 49.0 m-85 -155.01 98.44 2.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.713 ' CD2' HD21 ' A' ' 92' ' ' LEU . 40.1 t80 -74.66 117.36 16.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.548 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 0.1 OUTLIER -100.84 157.23 34.07 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.551 ' O ' ' CB ' ' A' ' 53' ' ' ASP . 18.2 Cg_endo -75.02 131.59 24.74 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 120.958 -2.517 . . . . 0.0 111.014 0.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.551 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.5 m-20 152.59 105.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -120.28 73.64 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 t -171.53 -178.33 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -52.45 178.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.4 -76.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -74.49 -25.01 59.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 49' ' ' TYR . 1.9 tmmt? -67.62 119.27 12.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.499 ' HD2' ' CE1' ' A' ' 77' ' ' PHE . 9.4 mmt180 -123.65 115.65 21.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.43 ' HG2' ' N ' ' A' ' 62' ' ' THR . 5.5 tmm_? -125.6 138.55 53.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.491 HG21 ' HB ' ' A' ' 27' ' ' ILE . 72.4 p -81.49 162.6 23.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -57.99 144.65 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.877 HG21 ' OE1' ' A' ' 99' ' ' GLN . 3.3 m -80.73 118.27 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.381 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.51 HG21 ' HB3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -88.6 134.71 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 67' ' ' LYS . 4.8 mttp -103.95 145.14 30.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.44 ' HA ' ' HG2' ' A' ' 41' ' ' PRO . 0.0 OUTLIER 39.31 90.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 179.96 120.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.411 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.523 ' CD1' ' HB2' ' A' ' 35' ' ' SER . 19.1 mt -85.98 -16.61 37.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.52 88.76 28.41 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.51 ' HB3' HG21 ' A' ' 65' ' ' VAL . 18.4 Cg_endo -75.0 -179.08 4.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.73 84.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 1.021 ' CE3' HG22 ' A' ' 27' ' ' ILE . 1.1 m-90 -77.28 -29.75 53.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 73' ' ' TRP . 0.3 OUTLIER 35.22 36.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.695 ' O ' HG23 ' A' ' 26' ' ' THR . 3.6 mm-40 -83.86 177.14 8.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 m -128.93 140.66 51.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.499 ' CE1' ' HD2' ' A' ' 60' ' ' ARG . 27.4 m-85 -140.63 113.41 8.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.8 mt -96.94 144.94 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.485 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 12.3 m-85 -135.83 111.37 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.515 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -146.38 161.27 39.38 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.515 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.01 141.03 70.55 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.045 -0.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 23' ' ' LEU . 24.3 t -135.87 114.1 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -97.16 161.97 13.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.618 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -71.75 -40.79 69.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -6.49 40.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.24 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' OE1' ' NE ' ' A' ' 90' ' ' ARG . 1.8 mm-40 -92.52 -16.0 26.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -56.31 -33.59 65.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -89.83 4.98 48.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -105.07 -26.22 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 90' ' ' ARG . 0.5 OUTLIER -138.41 174.76 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.705 ' CE ' HD23 ' A' ' 114' ' ' LEU . 0.0 OUTLIER -151.69 155.6 38.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.713 HD21 ' CD2' ' A' ' 50' ' ' PHE . 0.3 OUTLIER -92.29 154.3 18.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.649 ' HG3' HD11 ' A' ' 114' ' ' LEU . 19.4 tt0 -141.24 96.09 2.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.404 HD12 ' H ' ' A' ' 94' ' ' ILE . 4.5 mp -90.73 150.15 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.711 HG22 ' HB2' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -140.94 144.19 35.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.425 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.938 HD13 HG22 ' A' ' 46' ' ' VAL . 52.4 tp -131.26 137.3 48.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 0.0 OUTLIER -152.6 179.47 8.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 108.023 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 100' ' ' ALA . 1.4 t0 -120.88 117.15 26.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.877 ' OE1' HG21 ' A' ' 64' ' ' THR . 2.1 tt0 -55.16 87.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 98' ' ' ASP . . . -81.98 -85.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -89.79 -163.13 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -127.27 165.55 25.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.05 24.77 14.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 47.79 96.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -139.27 -47.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.88 126.0 43.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 p -136.91 132.9 35.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.458 ' CD ' HD21 ' A' ' 110' ' ' LEU . 7.0 pt-20 -90.04 -10.54 44.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.462 ' CD1' ' CZ3' ' A' ' 97' ' ' TRP . 35.4 t80 33.88 84.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.458 HD21 ' CD ' ' A' ' 108' ' ' GLU . 52.1 mt -55.12 -25.53 32.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.42 ' O ' HD22 ' A' ' 131' ' ' LEU . . . 138.41 155.19 6.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.711 ' HB2' HG22 ' A' ' 95' ' ' THR . 1.0 OUTLIER -108.49 145.53 34.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.335 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.693 HG13 HD23 ' A' ' 131' ' ' LEU . 92.5 mt -115.99 101.45 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.705 HD23 ' CE ' ' A' ' 91' ' ' MET . 1.1 mp -92.81 147.07 23.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.535 HD11 HG22 ' A' ' 113' ' ' ILE . 2.0 mp -142.47 134.86 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.497 ' HG2' ' HE3' ' A' ' 91' ' ' MET . 6.1 mt-10 -95.93 106.13 18.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.42 ' HA ' ' CB ' ' A' ' 120' ' ' ALA . 12.5 mt -41.42 -32.32 0.31 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -58.35 -54.04 51.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 33.6 p -102.02 22.51 12.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.451 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 117' ' ' LEU . . . -75.36 132.44 40.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.57 88.04 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.61 HD13 ' HB2' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -89.33 121.69 31.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 124' ' ' ASP . 3.0 t0 -173.0 34.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 123' ' ' ASP . 25.5 t70 39.33 35.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.485 ' O ' ' CD2' ' A' ' 127' ' ' HIS . 6.8 mt-10 -109.96 128.89 24.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.487 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.04 122.89 7.47 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 129' ' ' TYR . 73.8 m-70 -125.74 134.98 51.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.619 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.595 ' CZ3' ' OG ' ' A' ' 11' ' ' SER . 97.3 m95 -85.94 105.16 16.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 108.011 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 127' ' ' HIS . 33.2 m-85 -95.55 128.31 42.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.01 139.04 42.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.693 HD23 HG13 ' A' ' 113' ' ' ILE . 1.1 mt -85.41 156.32 20.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -127.41 143.48 51.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 72.3 p -126.59 75.76 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -166.52 102.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.629 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -162.82 124.67 2.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.6 t -120.7 149.93 41.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -159.02 170.89 35.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 62.4 5.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.515 1.798 . . . . 0.0 110.982 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.49 -59.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.5 t 75.01 -58.69 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -115.5 158.08 23.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 0.785 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -158.38 80.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.044 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.82 112.18 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -122.1 154.49 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.969 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 m -167.09 140.03 3.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.537 ' N ' HG21 ' A' ' 133' ' ' THR . . . -110.72 148.24 17.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -119.33 -116.07 2.6 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -137.76 132.41 32.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.565 HD13 HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -117.52 137.99 52.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.454 ' H ' HD23 ' A' ' 10' ' ' LEU . 16.1 m -103.79 115.17 29.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.565 HD11 HD13 ' A' ' 10' ' ' LEU . 6.0 mt -125.45 128.78 72.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.599 ' CE ' HD21 ' A' ' 28' ' ' LEU . 3.3 ttmt -108.15 123.5 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.643 ' CB ' HD23 ' A' ' 122' ' ' LEU . 13.4 mt -115.18 153.65 30.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -158.14 145.32 17.99 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.779 ' HB2' HD13 ' A' ' 122' ' ' LEU . 22.3 t80 -106.42 133.15 51.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.415 ' O ' ' N ' ' A' ' 21' ' ' HIS . 2.4 m-20 -113.36 84.08 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -18.85 42.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.8 t -52.84 -64.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.2 5.44 33.88 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' ASP . 15.5 m170 61.9 61.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.657 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.48 150.23 50.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.498 ' HB2' HG11 ' A' ' 82' ' ' VAL . 9.9 tp -99.09 116.89 32.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 24' ' ' ILE . 1.7 mp -89.51 101.6 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.58 HG13 ' CD2' ' A' ' 14' ' ' LEU . 28.9 t -107.35 112.3 39.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.99 119.21 38.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.823 HG22 ' CE3' ' A' ' 73' ' ' TRP . 49.2 mm -88.6 91.58 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.632 HD11 ' HB3' ' A' ' 126' ' ' PRO . 16.9 mt -54.68 -98.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.558 ' HA2' ' CZ3' ' A' ' 73' ' ' TRP . . . -157.88 171.19 34.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.36 155.14 25.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.566 ' CG ' ' CZ3' ' A' ' 128' ' ' TRP . 0.0 OUTLIER -144.05 165.46 27.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.416 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 72.0 m-20 55.26 54.59 8.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.49 HD22 ' O ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -96.13 159.63 31.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.552 ' HG2' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -74.98 123.33 7.81 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.541 1.811 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.423 ' HB3' HD11 ' A' ' 69' ' ' LEU . 14.9 p -120.48 -163.63 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.937 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.96 124.33 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.33 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -39.33 -85.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.91 47.2 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -119.85 -120.91 2.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -146.53 159.92 43.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.459 ' HG2' ' CG ' ' A' ' 67' ' ' LYS . 18.3 Cg_endo -75.04 -160.8 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.546 1.813 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.72 ' NH1' HD21 ' A' ' 110' ' ' LEU . 1.1 ptp180 -145.83 -174.37 4.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -115.55 88.66 20.21 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.86 43.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.567 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 2.0 p90 -170.53 124.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 1.025 HG22 HD13 ' A' ' 96' ' ' LEU . 44.5 t -78.04 163.53 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.456 ' N ' HG12 ' A' ' 46' ' ' VAL . 6.3 ttpt -149.23 116.66 6.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.777 HD11 ' CG1' ' A' ' 27' ' ' ILE . 3.4 mt -91.23 147.93 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -150.44 107.44 3.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -83.17 127.56 33.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.551 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 1.2 mm? -105.68 154.87 38.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.551 ' HA ' ' HB3' ' A' ' 51' ' ' LEU . 18.1 Cg_endo -75.0 133.46 31.53 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 120.96 -2.517 . . . . 0.0 110.99 -0.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 52' ' ' PRO . 1.9 m-20 152.0 111.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 54' ' ' ARG . 0.9 OUTLIER -131.56 32.53 4.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.47 -80.01 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.994 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.628 ' HA ' ' CG ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -151.66 175.16 12.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt 75.06 30.65 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 p30 167.2 36.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.628 ' CG ' ' HA ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -130.04 53.27 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.529 ' HD2' ' CE1' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -81.25 118.52 22.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 160.37 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.435 HG21 ' HB ' ' A' ' 27' ' ' ILE . 75.6 p -80.64 169.57 17.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.53 148.39 33.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.9 m -80.72 111.19 16.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.687 HG11 HG21 ' A' ' 68' ' ' THR . 1.0 OUTLIER -80.31 145.69 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -112.58 132.59 55.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.251 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 41' ' ' PRO . 14.2 mtmm 43.47 91.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.687 HG21 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -178.36 112.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.424 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.49 ' O ' HD22 ' A' ' 33' ' ' LEU . 4.2 mm? -75.6 -19.28 59.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -126.96 86.06 59.69 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.479 ' HG2' ' CH2' ' A' ' 73' ' ' TRP . 18.3 Cg_endo -74.99 145.43 31.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -131.55 96.35 3.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.823 ' CE3' HG22 ' A' ' 27' ' ' ILE . 4.0 m-90 -89.69 -43.88 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 107.981 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 0.7 OUTLIER 41.31 35.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -86.4 -175.03 5.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.327 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.3 m -136.43 143.56 43.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.436 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.529 ' CE1' ' HD2' ' A' ' 60' ' ' ARG . 29.0 m-85 -138.87 113.34 8.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.4 mt -94.83 129.48 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.513 ' O ' ' CG2' ' A' ' 82' ' ' VAL . 40.2 m-85 -124.48 111.79 16.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.544 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -145.39 162.53 36.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 80' ' ' SER . 18.4 Cg_endo -75.04 141.8 72.82 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.977 0.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 79' ' ' TYR . 17.3 t -134.5 108.0 10.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -96.81 166.82 11.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.577 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.463 ' HD2' ' CE2' ' A' ' 87' ' ' PHE . 1.5 tpt180 -79.62 -21.37 44.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.47 -8.61 59.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -93.59 -28.03 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.557 ' CD2' ' O ' ' A' ' 117' ' ' LEU . 7.0 m-30 -40.44 -54.71 2.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.6 ttt85 -45.47 -53.63 8.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.44 44.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.432 ' C ' HD13 ' A' ' 117' ' ' LEU . 11.4 mtt180 -158.48 142.79 15.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.574 ' HA ' ' CD1' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -152.9 136.78 16.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.458 HD11 HD23 ' A' ' 23' ' ' LEU . 17.8 mt -92.35 137.53 32.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 9.5 tt0 -121.2 100.24 6.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.666 ' H ' HD12 ' A' ' 94' ' ' ILE . 1.8 mp -99.66 137.57 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.623 HG22 ' CB ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -138.58 145.96 41.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.364 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 1.025 HD13 HG22 ' A' ' 46' ' ' VAL . 21.3 tp -115.76 131.18 57.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.556 ' CD1' ' N ' ' A' ' 97' ' ' TRP . 0.0 OUTLIER -140.58 175.06 9.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 108.045 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.83 97.19 5.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -39.67 110.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -107.69 -85.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.79 151.9 39.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.3 m -89.7 -173.95 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.65 30.55 19.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.241 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 46.23 86.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -171.4 159.03 5.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 52.43 101.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 110.321 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.72 137.84 51.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.964 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 109' ' ' PHE . 2.1 tt0 -88.78 -33.61 17.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.493 ' HB2' ' CE3' ' A' ' 97' ' ' TRP . 73.8 t80 57.57 116.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.72 HD21 ' NH1' ' A' ' 42' ' ' ARG . 34.3 mt -92.24 -31.4 15.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 170.22 179.54 41.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 110.946 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.623 ' CB ' HG22 ' A' ' 95' ' ' THR . 4.0 pt-20 -139.56 144.18 37.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.288 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.614 HD11 ' HG ' ' A' ' 131' ' ' LEU . 18.3 mt -126.66 106.51 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.551 ' HB3' ' HE1' ' A' ' 91' ' ' MET . 0.1 OUTLIER -94.12 132.66 38.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.4 mt -138.36 149.67 24.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 120' ' ' ALA . 8.2 mt-10 -114.86 141.36 48.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.707 ' N ' HD12 ' A' ' 117' ' ' LEU . 1.5 mp -80.28 -12.52 59.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -68.03 -31.98 72.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 82.4 p -125.81 -1.34 7.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 116' ' ' GLU . . . -43.01 135.09 3.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.04 87.05 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.779 HD13 ' HB2' ' A' ' 16' ' ' PHE . 4.3 mt -88.69 114.41 25.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -169.92 35.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 12.2 t0 40.91 35.77 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 127' ' ' HIS . 39.2 mt-10 -106.64 120.37 48.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.632 ' HB3' HD11 ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.93 123.14 7.7 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 125' ' ' GLU . 53.9 m-70 -125.81 141.76 51.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.608 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.566 ' CZ3' ' CG ' ' A' ' 31' ' ' LYS . 80.6 m95 -86.95 105.35 17.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 107.996 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -90.43 125.21 35.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -72.06 144.31 48.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.614 ' HG ' HD11 ' A' ' 113' ' ' ILE . 1.1 mt -99.66 142.31 31.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -113.35 122.03 46.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.537 HG21 ' N ' ' A' ' 7' ' ' GLY . 40.2 p -109.66 90.67 3.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.78 174.71 9.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.593 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.21 -57.05 11.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.6 t 41.02 87.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.88 167.89 20.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 179.39 6.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.93 121.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.025 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 24.9 t -150.11 137.33 19.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 -179.974 . . . . . . . . 0 0 . 1 stop_ save_