data_1va9_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 1va9 _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 ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.45 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.1 Cg_endo -75.04 138.63 23.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.36 23.99 12.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.91 146.16 10.78 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.46 14.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.9 37.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.6 mtp -103.65 178.36 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' THR . 49.6 t0 48.32 30.75 2.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.57 110.62 12.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 t -154.62 158.61 39.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.528 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 56.3 mt -107.01 160.18 15.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -159.06 118.23 1.72 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.84 5.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.78 -36.47 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 p -121.2 -144.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.433 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -107.95 -47.25 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -110.92 42.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.245 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.39 151.86 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.056 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.431 ' CG1' HG21 ' A' ' 114' ' ' THR . 86.2 mt -139.85 150.51 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -100.18 127.02 46.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.528 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 68.7 t -113.17 113.86 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.472 HG21 ' CG2' ' A' ' 79' ' ' VAL . 1.7 p -115.11 142.62 46.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 20.3 p90 -156.15 162.37 40.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 107.95 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -115.0 169.6 8.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.66 137.62 62.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 101.88 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? 46.86 -170.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -117.33 -44.89 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -76.0 -31.07 58.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 45' ' ' ASN . 58.9 mt -74.85 -33.25 62.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' LEU . 6.9 mt-30 -38.5 -31.36 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 43' ' ' LEU . 97.5 m-20 41.28 60.26 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.77 166.88 42.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 48' ' ' ILE . 71.5 t -52.04 166.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.455 ' N ' ' CG1' ' A' ' 47' ' ' VAL . 5.1 mm -116.45 137.17 51.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -83.86 -31.96 25.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.58 178.79 41.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.689 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 6.8 m-85 -131.49 164.35 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 0.738 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -113.64 129.65 56.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.481 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 4.0 mp -113.92 98.67 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.469 ' CA ' HD12 ' A' ' 68' ' ' ILE . . . -95.34 119.57 6.22 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.504 ' CD1' HD23 ' A' ' 82' ' ' LEU . 23.4 p90 -129.74 145.24 51.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.571 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -156.44 146.12 20.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.572 ' HA ' ' CE1' ' A' ' 91' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 56' ' ' ARG . 14.0 m-85 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.523 0.201 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.424 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 45.6 m -64.36 107.0 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.469 HD12 ' CA ' ' A' ' 54' ' ' GLY . 27.5 mm -84.56 145.25 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -135.89 118.16 21.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 71' ' ' MET . 2.1 tt0 -80.6 140.71 35.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.427 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 3.6 ppp? -149.32 178.38 8.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.416 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -117.37 151.87 36.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.29 100.51 11.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.3 p -60.8 -39.23 88.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.07 -144.57 4.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.32 -47.9 72.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.4 p -98.28 143.33 28.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.444 ' OE1' ' CE1' ' A' ' 51' ' ' TYR . 3.7 mt-10 -135.21 154.38 51.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 35' ' ' THR . 10.3 p -150.31 150.89 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.26 121.21 10.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.7 m -86.23 100.6 12.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.504 HD23 ' CD1' ' A' ' 55' ' ' TYR . 11.5 mt -78.15 107.64 10.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.37 -175.66 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 62.06 57.92 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.6 mt -117.18 -176.57 3.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.18 177.8 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -100.13 128.72 46.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.356 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.8 t80 38.3 63.58 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.86 149.21 43.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -74.9 137.1 41.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.572 ' CE1' ' HA ' ' A' ' 57' ' ' GLU . 5.4 m-85 -139.93 137.49 34.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.6 124.61 6.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -131.21 157.94 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.79 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.406 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 16.5 m -126.05 163.22 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.1 t -134.81 134.67 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -143.7 143.92 31.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.689 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.48 123.09 34.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 2.9 p90 -120.79 129.01 53.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 102' ' ' GLY . 14.0 p30 -122.9 178.3 5.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -64.97 -26.68 68.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.57 -26.21 63.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.422 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 148.52 -171.15 28.95 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.533 1.145 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.9 m -109.55 160.24 16.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.15 -171.52 17.39 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.33 31.5 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.461 1.769 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.9 p -87.46 172.71 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.49 162.46 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.58 113.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -45.52 124.3 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.6 pt -112.33 -178.31 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -152.65 172.91 15.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . 177.85 99.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.2 m -64.79 116.45 6.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.431 HG21 ' CG1' ' A' ' 32' ' ' ILE . 11.7 p -49.41 157.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.446 ' N ' HD11 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.401 ' N ' ' HB3' ' A' ' 101' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 143.61 29.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -114.61 46.27 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.94 140.32 4.62 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.79 15.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 158.51 42.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.4 ' O ' ' N ' ' A' ' 37' ' ' LYS . 47.8 mmm -102.18 172.6 6.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 57.6 t0 53.31 21.15 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.4 t -65.92 106.2 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 t -150.41 154.57 37.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.504 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 26.3 mt -106.86 165.43 11.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -164.86 118.07 0.96 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 107.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.426 1.75 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 m -92.98 -34.29 5.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 p -120.21 -154.04 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.43 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 p -111.84 -12.03 13.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -135.48 18.25 3.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 t -146.93 166.41 26.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 33' ' ' GLN . 64.7 mt -147.76 147.71 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.412 ' N ' HG23 ' A' ' 32' ' ' ILE . 3.4 tt0 -100.83 110.26 22.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.504 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 62.4 t -99.14 108.68 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.451 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.4 p -114.07 138.96 49.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.558 ' CZ3' HG12 ' A' ' 95' ' ' VAL . 14.3 p90 -148.07 -176.93 5.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 108.028 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.2 mtpt -136.73 162.15 33.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.27 141.79 8.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 167.77 26.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -37.94 139.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -51.93 45.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -64.78 -12.86 52.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.4 mt -104.16 -20.39 13.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 40' ' ' LYS . 4.9 mt-30 -54.29 -35.68 62.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 50.24 40.11 21.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.83 171.0 20.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.0 m -53.92 -178.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.5 mm -128.04 150.03 33.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -100.24 -31.12 11.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.405 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 173.77 177.1 42.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.689 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 7.0 m-85 -132.78 150.62 52.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -101.08 129.96 47.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.465 HG21 ' CD1' ' A' ' 82' ' ' LEU . 4.1 mp -108.94 96.73 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.476 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -95.58 123.66 7.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.606 ' CE1' ' OG ' ' A' ' 67' ' ' SER . 32.0 p90 -145.87 143.83 29.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.567 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 2.0 ptm180 -156.64 148.16 22.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.364 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 15.1 m-85 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.492 0.187 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.606 ' OG ' ' CE1' ' A' ' 55' ' ' TYR . 54.2 p -61.84 109.15 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.968 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.476 HD13 ' CA ' ' A' ' 54' ' ' GLY . 38.2 mm -88.17 145.03 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.63 117.16 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 71' ' ' MET . 3.2 tt0 -80.56 140.62 35.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 2.0 ppp? -148.15 -176.65 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 111.006 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.44 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -122.89 149.7 43.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.88 130.56 37.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.376 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.8 p -111.53 27.1 9.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.418 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.39 -158.49 23.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.1 -28.55 62.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.767 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.1 p -112.46 141.13 46.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.593 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 2.6 mt-10 -136.07 153.77 51.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.451 ' CG2' HG22 ' A' ' 35' ' ' THR . 12.1 p -148.26 149.82 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -145.06 119.93 9.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.9 m -85.63 94.17 9.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.454 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 55' ' ' TYR . 27.3 mt -72.41 106.73 4.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.85 -176.31 3.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 62.59 65.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.4 mt -130.25 177.01 7.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 170.12 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -99.11 136.94 38.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.5 t80 42.22 55.94 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.57 148.78 47.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -74.78 135.06 41.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -141.97 130.88 23.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.25 132.61 11.2 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 82' ' ' LEU . 24.3 t -126.72 154.22 36.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 0.734 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.44 120.12 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.558 HG12 ' CZ3' ' A' ' 36' ' ' TRP . 17.9 t -98.62 146.04 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -150.37 143.1 24.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.689 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.19 117.75 29.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -114.93 133.81 55.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.22 170.59 10.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -25.88 64.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.401 ' HB3' ' N ' ' A' ' 14' ' ' ALA . . . -73.18 -23.17 60.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.43 -172.64 29.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.2 m -108.58 148.69 29.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -101.84 -176.29 28.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.431 1.082 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 154.63 42.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.418 1.746 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.71 166.36 13.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.2 p -83.35 161.66 21.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.1 119.01 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -41.19 122.69 1.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.77 -172.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -151.05 173.45 14.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -179.03 77.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.9 m -47.78 112.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.0 p -48.21 148.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 35.4 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.404 ' N ' ' HB3' ' A' ' 101' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 123.08 7.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -93.64 46.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.41 141.51 3.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.16 21.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.51 1.795 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 18.1 Cg_endo -75.07 159.62 40.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.773 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' LYS . 6.0 mtp -99.85 174.58 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.2 t0 53.33 32.82 14.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 19' ' ' PRO . 33.9 t -74.38 106.89 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 t -153.33 154.64 34.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.542 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 18.9 mt -107.14 161.47 14.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.15 118.33 1.71 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.241 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -109.26 -34.73 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.506 ' OG1' ' CB ' ' A' ' 31' ' ' SER . 27.3 p -117.58 -164.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.0 m -90.56 -42.88 10.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -119.61 44.28 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.506 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.6 OUTLIER -164.12 148.34 9.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.954 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.459 ' CD1' HG23 ' A' ' 114' ' ' THR . 93.3 mt -134.63 155.84 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -104.96 125.59 51.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.542 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 85.6 t -110.43 111.62 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.466 ' CG2' HG21 ' A' ' 79' ' ' VAL . 1.4 p -114.44 142.47 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.506 ' CZ3' HG13 ' A' ' 95' ' ' VAL . 13.6 p90 -153.68 178.36 9.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' MET . 2.5 mtpt -132.84 163.29 29.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.67 136.49 1.97 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.06 103.48 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER 45.66 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -117.4 -49.25 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -91.46 33.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' GLN . 14.0 mt -130.33 -44.96 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' LEU . 47.0 mt-30 -36.75 -38.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 56.75 52.64 9.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.54 169.65 24.63 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.445 1.091 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.25 168.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.517 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 7.4 mm -117.04 142.9 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.57 -31.22 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.578 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 175.81 -179.99 46.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.653 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 18.6 m-85 -137.31 161.04 37.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -111.12 158.26 19.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.489 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 4.6 mp -139.57 101.98 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.8 115.41 5.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.501 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 34.9 p90 -126.94 146.26 50.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.736 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.574 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.97 132.29 9.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 3.5 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.574 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 15.2 m-85 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.442 0.163 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.501 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 16.9 m -72.46 107.29 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.3 mm -84.47 147.26 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -142.99 112.65 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -82.07 135.57 35.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.262 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.55 ' HB3' ' CE1' ' A' ' 80' ' ' TYR . 8.2 ptm -144.53 151.5 39.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.37 160.57 32.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.15 129.23 40.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.9 p -103.08 39.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.85 -155.43 17.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.89 -42.16 97.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.8 p -97.46 131.75 43.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.495 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 12.3 mp0 -135.61 145.42 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.466 HG21 ' CG2' ' A' ' 35' ' ' THR . 11.8 p -142.42 149.61 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 71' ' ' MET . 25.9 t80 -139.36 129.69 25.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.5 m -85.29 100.62 11.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.473 ' CD1' HG22 ' A' ' 53' ' ' ILE . 28.6 mt -81.27 108.33 14.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.48 -174.37 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 61.7 54.87 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.5 mt -113.98 -179.02 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 155.09 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -79.98 134.7 36.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.1 t80 39.99 66.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.79 142.11 25.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -74.69 140.78 44.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 6.4 m-85 -141.31 123.75 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.19 116.8 5.56 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.483 ' HB ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -127.01 162.07 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.474 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 31.6 m -126.68 178.71 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.506 HG13 ' CZ3' ' A' ' 36' ' ' TRP . 17.1 t -147.71 141.19 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -151.45 147.85 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.653 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.41 136.75 32.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 3.5 p90 -129.49 131.12 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -124.29 178.37 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -65.25 -16.27 63.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.404 ' HB3' ' N ' ' A' ' 14' ' ' ALA . . . -82.29 -26.04 33.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.239 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.98 -164.14 29.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 15.8 m -114.05 156.34 24.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -104.08 179.27 24.94 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 156.58 43.22 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.9 p -75.46 173.14 11.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 p -108.31 161.54 14.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.96 116.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -50.63 128.15 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.5 pt -111.18 -178.78 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -152.43 159.44 43.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -171.99 96.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.1 m -66.63 114.29 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.459 HG23 ' CD1' ' A' ' 32' ' ' ILE . 26.4 p -46.94 155.74 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 115' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.439 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.4 Cg_endo -74.99 149.12 36.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -118.94 44.42 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.1 146.15 5.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.4 14.57 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 165.99 30.1 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.8 mtp -103.46 178.53 4.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t70 47.92 31.97 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.1 t -77.24 108.32 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.1 t -148.83 159.19 44.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.539 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 71.3 mt -110.6 165.44 11.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -166.64 118.42 0.78 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.478 ' HB2' ' CD1' ' A' ' 115' ' ' LEU . 18.2 Cg_endo -75.05 109.95 3.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.797 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 m -97.59 -33.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.484 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -130.51 172.53 11.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.422 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -80.5 -12.89 59.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -134.34 39.64 3.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.428 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.0 OUTLIER -171.17 168.52 6.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.016 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CD1' HG22 ' A' ' 114' ' ' THR . 41.8 mt -153.74 140.94 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.422 ' N ' HG23 ' A' ' 32' ' ' ILE . 8.5 tt0 -91.83 132.38 36.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.539 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 94.4 t -124.18 114.36 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.471 HG23 ' CG2' ' A' ' 79' ' ' VAL . 1.9 p -116.16 143.61 45.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.414 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 22.5 p90 -155.59 161.78 40.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -114.69 173.72 6.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -57.23 138.37 80.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 97.74 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.515 1.797 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 44.61 -167.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -116.79 -45.85 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.35 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.99 -20.57 57.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.2 mt -82.14 -30.14 31.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -42.4 -37.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 45.43 44.61 9.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.1 157.97 23.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.0 t -48.85 157.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.566 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.2 mm -107.28 150.35 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -100.26 -33.68 10.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 175.9 176.42 44.1 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.662 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 6.8 m-85 -131.9 144.98 51.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -93.66 125.05 38.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.498 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 4.6 mp -105.71 95.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -88.96 127.06 8.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.405 ' CB ' HG21 ' A' ' 93' ' ' VAL . 52.9 p90 -141.16 139.35 33.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.3 OUTLIER -156.49 155.22 31.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.571 ' HA ' ' CE1' ' A' ' 91' ' ' TYR . 1.3 tt0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.565 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 11.2 m-85 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.52 0.2 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -64.39 105.62 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 30.7 mm -85.45 152.4 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -144.51 116.85 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.58 140.1 35.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.438 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -148.32 -176.26 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.438 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -120.82 148.43 44.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.0 111.43 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.7 p -67.9 -38.92 83.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.41 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.43 -140.63 3.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -20.23 61.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 80.9 p -129.16 143.62 50.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 12.5 mp0 -134.6 153.13 52.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.471 ' CG2' HG23 ' A' ' 35' ' ' THR . 9.4 p -143.48 150.8 17.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.598 ' CE1' HD12 ' A' ' 82' ' ' LEU . 5.1 t80 -146.52 143.74 29.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m -116.09 102.32 9.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 80' ' ' TYR . 2.9 mm? -75.01 106.51 6.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.448 ' OD1' ' ND2' ' A' ' 84' ' ' ASN . 0.3 OUTLIER -89.78 172.52 8.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.448 ' ND2' ' OD1' ' A' ' 83' ' ' ASP . 61.5 m-20 67.23 60.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.6 mt -120.41 145.85 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -57.8 -179.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 88' ' ' PHE . 36.6 mtpt -104.21 141.09 36.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 87' ' ' LYS . 9.4 t80 35.02 40.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.28 141.46 47.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -74.59 128.89 36.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 57' ' ' GLU . 14.8 m-85 -131.67 145.02 51.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -120.95 110.09 1.65 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.405 HG21 ' CB ' ' A' ' 55' ' ' TYR . 85.4 t -101.84 155.79 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.774 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 m -137.09 143.51 34.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.7 t -122.2 145.15 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -153.11 144.88 23.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.662 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.2 122.14 33.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 2.2 p90 -123.06 129.95 52.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -124.23 172.71 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -25.87 64.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.18 -24.69 63.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.32 -169.88 28.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.439 HG21 ' CB ' ' A' ' 98' ' ' PHE . 6.9 m -112.3 155.97 23.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 110.435 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.38 -174.1 17.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.539 1.15 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.51 42.77 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.469 1.773 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -99.61 172.98 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.96 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.06 160.21 21.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -57.61 115.43 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 108' ' ' SER . 24.8 tt0 -38.16 122.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -95.21 -166.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -151.52 146.32 25.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -169.09 90.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 114' ' ' THR . 54.7 m -69.05 108.47 3.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.473 HG22 ' CD1' ' A' ' 32' ' ' ILE . 74.8 p -38.95 158.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.435 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.414 ' N ' ' HB3' ' A' ' 101' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.16 42.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -123.95 55.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.85 143.72 3.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.96 17.29 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.774 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.6 mmm -109.72 176.03 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' THR . 35.0 t70 51.73 25.45 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.8 t -68.5 108.0 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -152.48 157.08 40.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.555 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 33.6 mt -107.87 166.69 10.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -166.86 117.3 0.74 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 109.84 3.01 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -93.97 -33.75 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.421 ' OG1' ' OG ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -131.7 -176.79 4.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -59.54 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.402 ' NE2' ' HE2' ' A' ' 87' ' ' LYS . 2.1 mt-30 -106.74 54.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.421 ' OG ' ' OG1' ' A' ' 28' ' ' THR . 0.0 OUTLIER -174.17 131.0 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.961 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 33' ' ' GLN . 96.5 mt -122.24 154.32 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.412 ' N ' HG23 ' A' ' 32' ' ' ILE . 53.3 tt0 -109.45 129.59 55.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.555 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 48.9 t -116.06 113.32 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.438 HG21 ' CG2' ' A' ' 79' ' ' VAL . 1.2 p -113.03 137.76 50.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 22.7 p90 -151.32 161.34 42.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -116.33 156.64 26.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.5 143.94 0.81 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.03 172.05 17.12 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.449 1.763 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -38.09 131.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -61.07 -54.61 42.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -61.19 -14.33 24.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.8 mt -113.71 48.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -113.84 -40.32 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 55.97 41.35 29.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.77 -176.45 19.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 48' ' ' ILE . 77.7 t -70.62 159.56 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.518 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 4.5 mm -105.73 141.67 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 49' ' ' ARG . 5.6 mmm180 -88.51 -44.83 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.425 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . -172.97 172.67 45.25 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.14 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.668 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 7.0 m-85 -129.77 136.42 49.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -85.93 133.83 33.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 53' ' ' ILE . 4.2 mp -112.35 96.4 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.435 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -92.07 108.3 3.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.467 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 28.1 p90 -121.97 143.11 49.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.582 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -156.64 143.29 18.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.525 ' HA ' ' CD1' ' A' ' 91' ' ' TYR . 1.5 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 11.8 m-85 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.499 0.19 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.451 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 66.0 m -64.49 104.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.435 HD13 ' CA ' ' A' ' 54' ' ' GLY . 39.3 mm -85.36 147.76 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.05 117.47 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -80.34 138.47 36.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 3.0 ppp? -145.22 -175.88 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.405 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -123.93 150.45 44.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.51 119.71 21.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.5 p -95.96 27.36 3.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.8 -146.15 16.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -81.13 -29.13 34.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 109.36 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.5 p -110.11 138.29 46.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.475 ' OE1' ' CE1' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -137.02 146.68 45.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.347 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.438 ' CG2' HG21 ' A' ' 35' ' ' THR . 11.1 p -142.1 151.36 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.586 ' CE1' HD13 ' A' ' 82' ' ' LEU . 3.4 t80 -142.82 135.8 28.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.3 m -106.14 101.26 10.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.586 HD13 ' CE1' ' A' ' 80' ' ' TYR . 2.6 mm? -78.44 106.66 10.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.05 -177.47 4.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 61.52 48.52 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.073 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.5 mt -107.98 167.45 9.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -76.91 179.11 6.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HE2' ' NE2' ' A' ' 30' ' ' GLN . 7.1 mttm -101.04 130.51 47.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.427 ' N ' ' HG1' ' A' ' 114' ' ' THR . 7.4 t80 37.58 63.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 111.042 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.52 145.97 43.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -74.39 133.25 42.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.525 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 4.3 m-85 -135.1 134.06 39.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.35 125.28 6.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -126.03 161.3 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 109.357 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 6.2 m -137.9 125.23 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.0 t -97.48 146.13 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -146.9 145.74 29.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.668 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.53 121.59 33.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 1.0 OUTLIER -125.34 131.47 53.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 102' ' ' GLY . 21.2 p30 -124.17 177.25 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -62.6 -19.54 63.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.414 ' HB3' ' N ' ' A' ' 14' ' ' ALA . . . -78.61 -25.59 45.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 151.03 -159.59 28.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.4 m -124.75 147.33 48.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 0.0 110.372 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.1 -169.57 26.05 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.91 42.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.5 1.789 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -91.01 166.93 12.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.2 p -87.64 157.1 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.12 162.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -87.75 124.06 33.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -108.91 -172.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -150.98 158.09 43.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.414 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -169.32 89.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.4 m -59.0 131.71 51.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.427 ' HG1' ' N ' ' A' ' 88' ' ' PHE . 2.8 p -61.59 176.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 129.58 12.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.35 32.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -171.27 146.71 9.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.81 13.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.48 26.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.29 170.8 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 t0 48.27 44.23 19.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.1 t -82.07 106.23 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.222 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 t -150.7 162.66 40.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.541 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 30.1 mt -117.01 157.98 24.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -161.04 117.77 1.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 121.15 6.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -100.28 -34.12 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 64.5 p -117.78 -146.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.448 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.8 m -112.82 -24.47 9.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -128.39 38.38 3.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 t -163.5 166.9 22.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.5 mt -148.73 156.91 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -107.87 115.09 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.541 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 52.9 t -102.09 107.6 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.456 ' CG2' HG22 ' A' ' 79' ' ' VAL . 1.1 p -110.04 137.16 48.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.488 ' CD2' HG13 ' A' ' 95' ' ' VAL . 25.8 p90 -151.91 160.71 43.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 107.97 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -117.57 155.71 29.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.18 139.86 0.99 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.96 176.14 10.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.784 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -38.58 142.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -73.4 -56.4 5.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.01 -14.3 15.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 45' ' ' ASN . 87.5 mt -101.9 -34.63 9.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' LYS . 3.6 mt-30 -37.73 -32.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . 56.0 m-20 49.56 48.53 21.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.03 176.77 34.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.9 p -58.03 169.15 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 109.36 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.548 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.7 mm -119.63 131.05 73.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -78.34 -27.39 47.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 173.61 -177.27 46.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.673 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 14.4 m-85 -135.46 163.26 30.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 0.736 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.458 ' NE2' ' CG2' ' A' ' 68' ' ' ILE . 34.8 mt-30 -114.22 145.67 41.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.5 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 4.4 mp -127.36 97.19 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.73 113.61 4.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.489 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 22.8 p90 -127.18 145.65 50.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 0.712 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.567 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 1.3 ptt180 -157.08 135.27 11.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.508 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 2.5 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.567 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 8.1 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.476 0.179 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.0 m -68.8 104.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.458 ' CG2' ' NE2' ' A' ' 52' ' ' GLN . 20.6 mm -84.4 123.88 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -124.58 112.82 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.54 137.18 32.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 1.6 ppp? -135.78 -177.03 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.417 ' O ' ' SD ' ' A' ' 71' ' ' MET . 2.4 mttm -97.03 155.65 16.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.38 101.79 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.3 p -50.19 -44.43 52.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.411 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.79 -126.81 1.06 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.78 -43.72 75.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.9 p -108.77 146.05 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.975 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.445 ' OE1' ' NE1' ' A' ' 36' ' ' TRP . 3.2 mp0 -138.49 147.85 43.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.456 HG22 ' CG2' ' A' ' 35' ' ' THR . 11.0 p -143.08 150.59 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -145.54 138.93 26.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.8 m -102.51 99.98 10.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 53' ' ' ILE . 14.4 mt -77.62 106.37 9.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.28 -175.51 3.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 62.59 58.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.5 mt -116.8 -174.47 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.64 173.96 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -98.39 107.81 20.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.6 t80 58.69 72.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.02 150.0 33.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -74.6 130.42 39.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.508 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 2.1 m-85 -131.62 131.21 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -114.6 108.58 2.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.489 ' HB ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -117.5 156.23 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.5 m -125.79 152.48 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.488 HG13 ' CD2' ' A' ' 36' ' ' TRP . 23.0 t -122.3 139.75 48.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -148.28 144.99 27.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.673 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.23 132.38 36.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 1.8 p90 -127.38 133.65 50.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 102' ' ' GLY . 16.5 p30 -124.11 178.5 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -66.37 -15.75 63.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.68 -25.7 32.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 150.29 -172.71 30.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 111.06 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.7 m -109.75 157.82 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.18 -176.08 26.46 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.6 41.87 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.804 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.96 152.1 38.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.0 p -81.45 169.43 17.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.13 118.3 6.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.84 124.52 20.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.29 -163.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.6 p30 -148.76 152.72 37.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -166.12 98.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.3 m -70.81 123.63 22.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 30.0 p -61.78 152.51 31.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.367 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.3 mt . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.403 ' N ' ' HB2' ' A' ' 101' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.404 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.1 Cg_endo -74.99 144.51 30.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.504 1.791 . . . . 0.0 110.967 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -114.86 37.95 3.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.96 139.96 5.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.81 13.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.3 mtp -108.9 173.14 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 49.83 40.86 21.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.2 t -81.05 106.38 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -150.85 154.88 38.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.434 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.47 HD12 ' CG1' ' A' ' 93' ' ' VAL . 70.1 mt -105.69 165.82 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -164.52 118.47 1.0 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 114.52 4.04 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.458 1.768 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 m -93.71 -37.82 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.2 p -126.25 -144.78 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.384 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.64 -23.72 10.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -126.25 38.19 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.6 t -168.9 156.53 7.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.455 HG13 ' CD1' ' A' ' 85' ' ' LEU . 63.0 mt -142.5 148.69 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -98.02 117.94 33.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.426 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 77.6 t -107.08 105.05 18.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -109.8 139.1 45.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.364 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.438 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 36.2 p90 -148.87 159.16 44.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 107.986 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 14.9 mttt -113.65 153.35 29.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.93 142.89 0.64 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -74.97 174.77 12.21 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.816 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 39' ' ' PRO . 1.0 OUTLIER -39.56 148.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -77.59 -45.84 24.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.67 -11.17 60.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 mt -105.01 -13.87 15.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.35 -45.97 65.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 54.14 47.85 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.92 159.31 29.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.7 p -48.75 170.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.547 HG23 ' CE1' ' A' ' 51' ' ' TYR . 4.1 mm -116.33 137.78 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -87.15 -31.94 20.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.422 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 177.94 174.42 44.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 97' ' ' ALA . 5.7 m-85 -129.81 143.23 50.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -93.5 130.24 39.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.473 HG21 ' CD2' ' A' ' 82' ' ' LEU . 4.8 mp -114.87 96.46 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.414 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -93.14 115.58 4.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 21.1 p90 -126.94 143.69 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -156.62 136.11 12.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.251 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 15.9 m-85 . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.493 0.187 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.543 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 50.3 m -70.07 106.73 3.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.414 HD13 ' CA ' ' A' ' 54' ' ' GLY . 41.2 mm -86.58 135.65 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.14 118.79 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -80.64 139.45 36.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.441 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 4.2 ppp? -147.32 178.9 8.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.441 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -121.03 146.98 46.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.03 115.61 22.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.9 p -72.36 -40.15 67.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 110.441 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.23 -128.37 1.04 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.75 -39.58 19.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.786 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 p -109.78 144.98 37.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 19.7 mm-40 -134.4 162.48 32.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.4 p -149.85 152.3 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -146.34 123.3 11.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -88.2 93.7 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.473 ' CD2' HG21 ' A' ' 53' ' ' ILE . 15.8 mt -75.42 105.95 6.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.98 179.04 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 63.88 68.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.455 ' CD1' HG13 ' A' ' 32' ' ' ILE . 10.1 mt -134.59 133.25 40.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 145.26 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -78.27 140.92 38.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.2 t80 44.32 62.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.03 141.67 23.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -74.85 125.06 28.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -120.67 124.13 44.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.15 119.55 6.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.48 ' HB ' ' CB ' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -131.11 159.91 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.434 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 35.9 m -127.29 171.37 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.2 139.02 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -148.32 144.59 27.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.576 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . . . -91.1 117.72 29.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 2.4 p90 -113.16 131.46 55.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -124.31 178.19 5.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -20.54 66.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.403 ' HB2' ' N ' ' A' ' 14' ' ' ALA . . . -78.69 -16.44 57.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.18 -162.48 27.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.7 m -120.28 148.8 43.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 110.446 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -101.91 -178.54 27.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 155.66 43.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.15 177.34 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.02 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.3 p -102.39 165.62 11.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.73 121.99 2.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -52.3 117.88 3.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.2 pt -105.08 -177.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -152.87 173.81 14.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -179.3 101.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.5 m -66.54 114.17 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.439 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.5 p -49.39 157.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 60.6 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 18.2 Cg_endo -75.03 108.89 2.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -84.62 50.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.89 138.48 3.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 168.99 23.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 155.35 43.26 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 41.9 mtp -101.59 177.22 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 35' ' ' THR . 13.1 t0 54.31 27.02 7.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.466 ' CG1' HD13 ' A' ' 110' ' ' ILE . 21.9 t -75.96 111.01 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -153.07 149.31 27.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.388 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.478 ' HG ' ' CD1' ' A' ' 110' ' ' ILE . 68.4 mt -100.44 164.69 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -167.06 118.84 0.75 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.29 6.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 m -111.37 -35.48 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.446 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 7.9 p -117.57 -170.41 1.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.1 m -90.58 -21.42 21.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -136.53 47.45 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.16 166.71 12.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 33' ' ' GLN . 53.6 mt -151.05 142.2 16.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.415 ' N ' HG22 ' A' ' 32' ' ' ILE . 64.7 tt0 -93.08 123.11 36.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.511 ' O ' ' CG2' ' A' ' 79' ' ' VAL . 50.4 t -111.78 128.15 68.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.471 ' CG2' HG22 ' A' ' 79' ' ' VAL . 1.1 p -129.33 145.98 51.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.517 ' CD2' HG11 ' A' ' 95' ' ' VAL . 15.1 p90 -159.3 165.89 32.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 107.978 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.7 177.5 5.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.56 136.13 53.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 100.27 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.801 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? 46.48 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.31 -49.38 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -76.42 -4.33 41.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.8 mt -98.43 -32.41 11.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -42.79 -39.86 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 44.97 45.32 8.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.79 165.27 21.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 m -51.83 175.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.345 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.489 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.8 mm -124.93 144.93 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -94.69 -22.02 18.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.455 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 161.9 -176.82 38.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.693 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 8.4 m-85 -136.46 156.63 48.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.403 ' NE2' HG22 ' A' ' 68' ' ' ILE . 26.3 mt-30 -103.43 130.71 50.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.49 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 4.5 mp -111.39 100.75 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -102.29 136.34 12.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.563 ' CD1' HD22 ' A' ' 82' ' ' LEU . 4.0 p90 -152.85 145.56 24.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.576 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.51 158.51 37.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.576 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 10.3 m-85 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.524 0.202 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.9 m -62.15 109.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.968 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.403 HG22 ' NE2' ' A' ' 52' ' ' GLN . 32.1 mm -88.02 138.36 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -128.35 116.49 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 71' ' ' MET . 1.6 tt0 -80.94 138.67 36.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.244 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.42 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 1.5 ppp? -147.1 -178.2 6.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -115.19 156.92 24.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.78 113.62 25.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 38.8 p -85.88 1.94 47.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 159.3 -147.16 14.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.68 -38.37 29.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 83.5 p -104.69 123.72 48.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.582 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 2.2 mp0 -117.98 157.69 26.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 34' ' ' VAL . 7.2 p -150.76 147.17 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.471 ' N ' HG21 ' A' ' 79' ' ' VAL . 3.8 t80 -144.65 124.88 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 m -86.21 95.88 9.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.563 HD22 ' CD1' ' A' ' 55' ' ' TYR . 16.2 mt -75.38 106.37 6.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.93 178.13 5.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 70.48 60.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.8 mt -123.43 175.01 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.25 177.32 6.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 88' ' ' PHE . 10.4 mtmt -99.67 137.78 37.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 87' ' ' LYS . 7.7 t80 35.78 57.59 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.52 148.56 50.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -74.95 128.51 35.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -133.74 123.24 24.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.36 129.87 10.05 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.31 142.37 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.7 m -128.5 126.04 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.517 HG11 ' CD2' ' A' ' 36' ' ' TRP . 19.1 t -106.41 143.35 17.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -151.21 145.23 25.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.693 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.72 137.05 32.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 1.7 p90 -134.78 130.65 36.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.415 ' ND2' ' HD3' ' A' ' 15' ' ' PRO . 21.9 p30 -124.3 178.25 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -61.83 -23.17 66.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.91 -26.1 60.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 150.38 -162.43 29.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.1 m -115.72 149.54 38.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -99.92 -179.39 30.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 164.58 32.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.0 p -93.28 162.56 13.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 p -93.52 166.87 12.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 110' ' ' ILE . 0.7 OUTLIER -40.61 125.86 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.985 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.71 85.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.478 ' CD1' ' HG ' ' A' ' 24' ' ' LEU . 28.6 pt -70.03 168.3 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.474 ' CA ' HD13 ' A' ' 24' ' ' LEU . 1.4 p-10 -148.06 170.86 16.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -174.44 102.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 83.3 m -68.61 107.49 2.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.7 p -41.45 160.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 110.383 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.446 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.423 ' N ' ' HB1' ' A' ' 101' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.446 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.1 Cg_endo -75.06 150.95 38.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -120.27 59.43 0.9 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.52 141.97 3.3 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.14 29.85 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.471 1.774 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.56 22.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 45.7 mmm -107.03 176.61 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t70 50.22 26.49 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.36 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.27 107.12 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -152.74 164.88 36.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.503 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 48.1 mt -117.69 162.24 18.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.97 117.74 0.73 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 119.53 5.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.8 m -102.21 -33.37 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.6 p -119.37 -150.99 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.29 -22.27 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -132.01 25.23 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.82 143.7 22.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 33' ' ' GLN . 83.3 mt -126.2 160.39 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.416 ' N ' HG23 ' A' ' 32' ' ' ILE . 48.1 tt0 -108.91 113.61 26.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.503 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 93.1 t -102.47 112.19 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.466 HG23 ' CG2' ' A' ' 79' ' ' VAL . 1.5 p -115.19 142.95 45.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.395 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 31.4 p90 -155.85 164.62 38.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 108.016 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -125.28 153.59 43.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.264 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.21 142.39 0.73 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 168.6 24.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.781 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.59 131.13 2.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -50.95 -47.37 61.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.35 -22.53 66.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.4 mt -106.72 52.59 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -121.71 -47.52 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 60.58 62.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.21 168.0 44.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' A' ' 48' ' ' ILE . 84.2 t -52.29 164.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.574 HG22 ' CE1' ' A' ' 51' ' ' TYR . 4.2 mm -115.1 133.34 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -81.64 -30.25 32.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.417 ' C ' ' CD2' ' A' ' 98' ' ' PHE . . . 172.08 179.26 42.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.609 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 7.0 m-85 -132.13 137.94 47.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -85.0 144.2 28.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.475 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 5.4 mp -126.33 95.22 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.407 ' CA ' HD12 ' A' ' 68' ' ' ILE . . . -92.89 122.66 7.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.494 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 22.4 p90 -131.56 142.23 49.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.568 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.51 146.88 21.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 1.6 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.568 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 12.7 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.553 0.216 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.494 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 68.4 m -67.42 105.72 1.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.407 HD12 ' CA ' ' A' ' 54' ' ' GLY . 34.0 mm -83.94 142.43 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -135.2 115.12 17.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -80.35 139.59 36.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -146.27 179.93 7.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -115.72 152.65 32.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.39 121.15 26.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.2 p -97.94 15.13 24.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.48 -159.71 27.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.6 -30.42 68.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.742 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.4 p -109.99 138.01 46.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.598 ' OE2' ' CE1' ' A' ' 51' ' ' TYR . 2.3 mp0 -135.56 157.21 47.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 35' ' ' THR . 10.3 p -150.23 152.71 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -145.11 122.89 11.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.2 m -87.57 93.59 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.491 HD22 ' CD1' ' A' ' 55' ' ' TYR . 31.2 mt -75.51 106.93 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -103.2 -170.62 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 62.19 53.01 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.8 mt -115.74 -169.62 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.51 172.21 7.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -102.59 122.62 44.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.2 t80 57.9 62.2 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.1 143.21 25.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -76.66 140.51 40.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.434 ' CD2' ' HA ' ' A' ' 57' ' ' GLU . 6.4 m-85 -139.71 134.18 31.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -111.63 119.51 5.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.143 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -123.6 156.8 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.8 m -127.69 152.9 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 5.6 t -128.39 144.61 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.403 ' OE1' ' OG ' ' A' ' 106' ' ' SER . 2.1 pt20 -153.41 154.55 34.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.609 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.08 120.08 31.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -116.55 130.72 56.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 102' ' ' GLY . 22.5 p30 -124.47 178.31 5.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -63.54 -16.55 61.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.423 ' HB1' ' N ' ' A' ' 14' ' ' ALA . . . -82.21 -26.04 33.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 148.48 -167.06 29.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.3 m -114.34 145.31 41.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 110.398 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -91.22 -170.09 42.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.31 41.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.403 ' OG ' ' OE1' ' A' ' 96' ' ' GLN . 1.9 m -79.77 156.03 27.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.53 153.7 21.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.52 120.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.09 125.29 24.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.41 -163.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -150.64 154.46 37.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.06 93.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.9 m -63.28 116.52 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.401 HG22 ' CD1' ' A' ' 32' ' ' ILE . 11.3 p -53.46 145.1 15.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 24.7 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 150.61 38.59 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.33 29.38 7.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.99 147.69 11.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.29 14.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 168.52 24.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.442 1.759 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.6 mmm -109.75 175.35 5.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t0 51.15 30.02 5.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.9 109.77 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -148.34 155.67 41.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.353 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.468 HD22 ' CG2' ' A' ' 93' ' ' VAL . 70.9 mt -111.29 161.39 16.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -165.9 117.61 0.84 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.766 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -96.91 -34.22 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.403 ' OG1' ' OG ' ' A' ' 31' ' ' SER . 31.0 p -125.88 -162.34 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 t -89.51 -35.75 15.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.42 ' C ' ' OG ' ' A' ' 31' ' ' SER . 79.0 mt-30 -124.37 54.37 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.42 ' OG ' ' C ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -176.99 151.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 33' ' ' GLN . 85.9 mt -140.77 150.01 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.423 ' N ' HG22 ' A' ' 32' ' ' ILE . 1.9 tt0 -99.0 118.27 35.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.6 t -107.29 109.17 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.509 ' CG2' ' CG2' ' A' ' 79' ' ' VAL . 0.7 OUTLIER -117.62 128.74 55.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 110.414 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.553 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 30.9 p90 -144.01 160.76 40.29 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -111.47 161.12 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.64 148.86 1.6 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.02 174.1 13.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -38.57 134.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -60.73 -53.72 53.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -58.93 -20.23 50.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.3 mt -110.89 49.36 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -106.29 -31.59 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 81.0 m-20 41.3 59.99 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.5 155.12 19.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 48' ' ' ILE . 55.6 t -43.86 163.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.653 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 4.2 mm -105.13 125.53 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.082 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.474 ' CD ' ' HG3' ' A' ' 100' ' ' ARG . 0.7 OUTLIER -72.69 -46.66 52.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.6 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . -171.58 174.92 45.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.657 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 8.2 m-85 -130.05 164.27 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -119.3 137.86 53.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.492 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 3.9 mp -115.57 102.19 13.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.35 125.99 8.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.536 ' CD1' HD23 ' A' ' 82' ' ' LEU . 17.9 p90 -145.16 147.39 32.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.54 158.46 37.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 7.8 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.524 0.202 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.8 m -62.52 106.04 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.049 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.7 mm -85.28 137.97 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -140.3 113.02 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.601 ' CD ' ' CZ ' ' A' ' 98' ' ' PHE . 4.3 tt0 -87.95 139.61 30.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 1.7 ppp? -133.37 -177.37 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.419 ' O ' ' SD ' ' A' ' 71' ' ' MET . 2.8 mttm -88.4 147.33 24.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.41 118.1 35.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.1 p -66.17 -47.22 74.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 76' ' ' ASP . . . 112.24 59.42 0.44 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 2.7 m-20 155.91 -44.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.411 ' O ' ' CD ' ' A' ' 78' ' ' GLU . 52.9 p -145.39 152.81 40.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.045 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.553 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 21.3 mm-40 -144.44 151.78 39.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.509 ' CG2' ' CG2' ' A' ' 35' ' ' THR . 10.9 p -154.16 146.48 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.525 ' CD1' HD22 ' A' ' 82' ' ' LEU . 13.6 t80 -147.01 123.17 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 m -89.23 96.79 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.386 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.536 HD23 ' CD1' ' A' ' 55' ' ' TYR . 32.4 mt -74.88 123.28 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 5.7 p30 -122.54 167.69 13.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 5.7 m120 84.57 44.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.595 ' CD1' ' N ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -99.63 -163.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.19 -175.03 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -108.98 112.58 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.7 t80 57.19 63.07 1.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.2 155.65 43.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -75.53 140.86 43.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 2.9 m-85 -139.03 134.58 33.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.71 123.08 4.77 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.468 ' CG2' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -120.41 164.21 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.4 m -140.34 120.94 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 36' ' ' TRP . 15.1 t -96.37 147.43 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -151.94 144.17 23.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.246 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.657 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.5 135.53 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.601 ' CZ ' ' CD ' ' A' ' 70' ' ' GLU . 1.0 OUTLIER -133.04 138.24 46.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.958 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 99' ' ' ASN . 0.5 OUTLIER -124.39 178.02 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.474 ' HG3' ' CD ' ' A' ' 49' ' ' ARG . 1.9 mtt-85 -59.35 -22.7 61.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.415 ' HB3' ' N ' ' A' ' 14' ' ' ALA . . . -74.92 -26.01 59.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.98 -153.03 25.03 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.4 m -121.5 156.88 31.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 110.368 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.63 -168.06 19.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 161.43 38.76 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.69 164.94 12.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.5 p -83.99 159.19 21.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.18 121.59 5.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -55.79 125.85 23.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -105.12 -162.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -150.85 153.72 35.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.35 90.08 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 83.6 m -65.51 108.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 54.6 p -45.87 149.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 68.7 mt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 153.4 41.75 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -124.76 60.56 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 170.77 128.03 0.99 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.07 17.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.07 23.43 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.498 1.788 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.71 177.86 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 t0 47.57 34.14 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.8 t -78.24 106.41 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -147.39 160.5 42.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.521 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 52.5 mt -110.33 163.46 13.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -164.83 118.29 0.97 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 m -101.14 -38.13 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 p -120.12 -148.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -109.16 -24.37 11.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -128.6 44.34 2.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.3 t -168.87 165.24 11.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.468 ' CD1' HG23 ' A' ' 114' ' ' THR . 44.9 mt -151.62 146.76 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.413 ' N ' HG21 ' A' ' 32' ' ' ILE . 44.8 tt0 -99.01 117.89 34.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.521 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 44.8 t -106.36 108.5 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.444 ' CG2' ' CG2' ' A' ' 79' ' ' VAL . 1.1 p -110.27 137.47 47.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.453 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.484 ' CZ3' HG11 ' A' ' 95' ' ' VAL . 28.0 p90 -148.31 163.64 36.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt -119.45 170.59 9.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.76 144.03 5.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.26 14.81 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' CB ' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -41.02 137.38 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -69.11 -46.84 66.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -73.16 -2.71 22.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.441 ' HB2' ' CB ' ' A' ' 40' ' ' LYS . 40.7 mt -113.61 42.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -122.78 95.99 4.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -84.09 51.0 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.76 153.56 11.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 p -41.73 160.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 0.766 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.52 HG22 ' CE1' ' A' ' 51' ' ' TYR . 2.8 mm -104.08 150.78 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.67 -25.16 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.442 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 173.07 178.02 42.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.672 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 7.5 m-85 -135.18 132.66 38.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.54 ' CD ' ' CG2' ' A' ' 68' ' ' ILE . 12.2 mm-40 -80.26 157.12 26.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.473 ' CG2' HD13 ' A' ' 82' ' ' LEU . 4.3 mp -134.31 105.16 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.73 134.51 11.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -153.15 145.19 23.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.632 ' CD ' ' CE1' ' A' ' 66' ' ' TYR . 0.5 OUTLIER -156.4 151.07 25.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 5.1 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.632 ' CE1' ' CD ' ' A' ' 56' ' ' ARG . 8.9 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.495 0.188 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.1 m -71.99 108.15 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.54 ' CG2' ' CD ' ' A' ' 52' ' ' GLN . 28.0 mm -91.83 139.13 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.432 ' C ' ' OE1' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -135.36 114.03 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 71' ' ' MET . 2.2 tm-20 -79.92 146.32 32.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 2.8 ppp? -150.36 -176.57 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.408 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -114.52 154.98 27.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.05 105.86 17.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.6 p -80.95 2.25 27.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.38 -166.13 36.39 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -44.96 92.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.0 p -94.18 134.73 36.33 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.421 ' HB2' ' NE1' ' A' ' 36' ' ' TRP . 71.7 mm-40 -132.08 153.57 50.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.444 ' CG2' ' CG2' ' A' ' 35' ' ' THR . 14.5 p -146.67 148.63 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -145.98 122.69 11.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 m -88.95 98.44 11.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.419 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.473 HD13 ' CG2' ' A' ' 53' ' ' ILE . 18.6 mt -74.22 106.63 5.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -99.08 171.09 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.8 OUTLIER 75.86 59.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.0 mt -122.95 -179.37 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.88 167.75 11.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 88' ' ' PHE . 4.3 mttp -82.64 134.73 35.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CE1' HG23 ' A' ' 113' ' ' THR . 7.1 t80 32.75 65.82 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.44 143.52 48.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -73.92 113.16 10.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 9.6 m-85 -120.43 123.94 44.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.58 131.19 10.61 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.948 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 42.3 t -122.81 154.04 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.1 m -143.74 118.76 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.484 HG11 ' CZ3' ' A' ' 36' ' ' TRP . 7.5 t -99.87 148.03 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' GLN . 1.6 pt20 -153.58 143.56 22.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.672 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.09 128.99 37.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 7.3 p90 -125.32 136.37 53.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -124.31 177.44 5.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -57.9 -23.38 52.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.73 -22.45 59.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.09 -157.61 27.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.155 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.8 m -114.37 144.22 43.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 110.417 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.88 177.53 49.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 155.93 42.7 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 p -73.31 153.32 40.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 p -82.93 173.91 11.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.25 114.52 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -48.89 133.57 17.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.238 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.07 -174.41 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -152.36 161.53 42.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -171.54 97.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.563 HG23 ' CE1' ' A' ' 88' ' ' PHE . 31.9 m -65.1 114.48 4.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.468 HG23 ' CD1' ' A' ' 32' ' ' ILE . 7.3 p -48.68 177.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 43.8 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 138.01 22.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -109.68 49.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' A' ' 18' ' ' PRO . . . 171.41 143.39 4.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 111.047 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -74.97 174.19 13.2 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.75 21.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.474 ' HE1' ' CE ' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -110.34 162.78 14.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.977 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 59.5 46.31 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 t -86.18 105.7 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -149.9 152.03 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 110.366 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.518 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -107.62 154.49 21.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.28 115.46 3.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 110.94 3.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 m -95.48 -33.39 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.0 p -120.69 -150.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.435 ' CB ' ' HD3' ' A' ' 87' ' ' LYS . 1.7 m -114.08 -13.94 12.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.038 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -135.66 35.2 2.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -162.25 163.87 27.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.955 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 33' ' ' GLN . 50.2 mt -148.85 139.71 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.415 ' N ' HG21 ' A' ' 32' ' ' ILE . 27.3 tt0 -92.8 113.04 25.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.455 ' CG2' HD13 ' A' ' 24' ' ' LEU . 92.1 t -102.39 109.93 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.483 ' CG2' ' CG2' ' A' ' 79' ' ' VAL . 1.4 p -112.33 141.31 46.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 29.8 p90 -155.61 164.64 38.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 107.987 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -122.42 167.3 13.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.17 145.48 2.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -74.99 -175.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.474 ' CE ' ' HE1' ' A' ' 20' ' ' MET . 0.1 OUTLIER -39.26 139.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' HA ' ' NE2' ' A' ' 44' ' ' GLN . 7.3 tptt -65.83 -51.92 54.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -88.46 46.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 44' ' ' GLN . 15.9 mt -147.05 -44.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 43' ' ' LEU . 4.1 mt-30 -33.06 -45.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 60.14 56.75 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.49 -177.09 23.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.1 p -67.76 171.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.605 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 6.7 mm -121.33 130.26 74.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -36.12 33.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.436 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 176.7 174.31 43.05 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.688 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 6.0 m-85 -128.64 145.14 51.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -95.07 132.89 39.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.499 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 4.0 mp -112.89 96.36 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.5 127.88 9.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.494 ' CD1' HD22 ' A' ' 82' ' ' LEU . 41.0 p90 -144.63 145.89 32.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -156.07 152.8 28.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 91' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 12.8 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.468 0.175 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.9 m -63.84 107.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.2 mm -85.66 151.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -143.19 116.86 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 71' ' ' MET . 4.4 tt0 -80.71 139.78 35.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.425 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -147.19 178.81 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.425 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -121.07 147.53 45.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.02 118.51 20.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.5 p -99.04 24.57 7.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.401 ' O ' ' OE2' ' A' ' 78' ' ' GLU . . . 141.22 -150.54 21.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.76 -45.96 23.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.6 p -97.6 144.03 27.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 75' ' ' GLY . 23.7 mm-40 -136.06 158.86 43.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.483 ' CG2' ' CG2' ' A' ' 35' ' ' THR . 12.3 p -150.49 149.02 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.15 120.19 9.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.5 m -88.29 94.36 9.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.494 HD22 ' CD1' ' A' ' 55' ' ' TYR . 32.8 mt -70.34 106.96 3.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.6 -175.46 3.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 61.35 61.5 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.7 mt -122.23 -177.68 3.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.54 162.44 13.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.435 ' HD3' ' CB ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -83.29 130.61 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.1 t80 38.05 72.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.41 144.4 29.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -74.84 128.48 35.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.51 ' CZ ' ' HG2' ' A' ' 57' ' ' GLU . 5.7 m-85 -128.75 135.55 49.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.11 113.14 2.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.435 ' CG2' HD12 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -115.96 159.99 15.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.408 ' CG1' ' HB2' ' A' ' 109' ' ' GLU . 1.4 m -135.47 129.15 49.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.9 t -101.74 148.05 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -153.11 145.86 24.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.688 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.65 121.36 33.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.603 ' C ' ' CD1' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -117.48 134.28 55.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.56 178.38 5.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -67.69 -24.24 65.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.91 -25.79 59.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.87 -174.13 30.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.442 HG23 ' CB ' ' A' ' 98' ' ' PHE . 7.2 m -108.05 147.86 30.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 110.373 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -98.5 -169.84 31.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.514 1.133 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.21 29.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.3 p -96.62 168.51 10.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 51.9 p -97.7 162.98 13.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.931 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.89 119.23 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.408 ' HB2' ' CG1' ' A' ' 94' ' ' VAL . 4.6 tt0 -65.97 112.68 3.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.478 ' HB ' ' CD2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -89.94 -163.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -152.71 136.83 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.518 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -146.38 100.94 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.7 m -69.77 121.66 17.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 18.4 p -52.59 -174.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.946 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.73 19.45 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -108.88 60.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.59 142.17 3.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 172.96 15.33 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.486 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 18.4 Cg_endo -75.03 158.12 42.27 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.431 ' HE1' ' NZ ' ' A' ' 40' ' ' LYS . 43.9 mtp -98.97 178.4 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t70 50.65 28.24 3.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 19' ' ' PRO . 41.4 t -72.13 111.15 5.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -153.83 151.97 30.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.528 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 50.1 mt -106.6 163.98 12.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -166.64 118.11 0.77 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.23 2.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -91.52 -33.75 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.431 ' OG1' ' CB ' ' A' ' 31' ' ' SER . 1.2 p -124.52 -168.32 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.9 p -100.16 1.81 42.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -147.07 26.31 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.0 OUTLIER -154.26 168.94 24.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.96 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.8 mt -152.39 136.82 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -89.71 132.56 35.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.148 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.528 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 95.5 t -124.16 104.69 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.494 ' CG2' ' CG2' ' A' ' 79' ' ' VAL . 1.2 p -109.98 140.51 43.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.457 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 33.5 p90 -150.89 164.93 35.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 107.995 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -117.17 162.77 17.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.14 136.3 8.63 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 98.39 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' NZ ' ' HE1' ' A' ' 20' ' ' MET . 6.0 mptp? 48.54 -169.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -117.01 -47.18 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -85.05 10.83 10.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.0 mt -104.2 -36.0 7.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -38.3 -35.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 1.1 m-20 64.02 22.21 12.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.565 ' O ' ' CG1' ' A' ' 47' ' ' VAL . . . 112.98 68.02 0.51 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.554 1.158 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.565 ' CG1' ' O ' ' A' ' 46' ' ' GLY . 8.5 p 48.43 172.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.432 ' H ' ' CG2' ' A' ' 47' ' ' VAL . 4.8 mm -123.03 140.36 46.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.8 -37.65 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.445 ' HA3' ' CZ ' ' A' ' 98' ' ' PHE . . . -172.59 174.56 45.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE1' ' OE2' ' A' ' 78' ' ' GLU . 6.7 m-85 -126.19 173.15 9.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -134.13 132.33 39.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.435 HD13 ' N ' ' A' ' 53' ' ' ILE . 3.5 mp -114.72 109.82 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -105.31 116.04 5.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.51 ' CE1' HD11 ' A' ' 82' ' ' LEU . 21.7 p90 -135.73 146.99 48.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.57 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.6 143.68 18.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.528 ' HA ' ' CE1' ' A' ' 91' ' ' TYR . 1.1 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 13.6 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.532 0.205 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 m -69.47 111.32 5.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.973 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.9 mm -90.13 139.77 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -127.77 119.56 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.53 135.39 36.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.409 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 1.7 ppp? -144.37 -179.26 6.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -118.94 149.27 41.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.46 105.92 6.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.8 p -60.54 -38.02 83.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.05 -130.47 1.54 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.51 -28.28 56.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.7 p -125.29 145.91 49.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.585 ' OE2' ' CE1' ' A' ' 51' ' ' TYR . 8.4 mp0 -135.69 158.31 44.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.494 ' CG2' ' CG2' ' A' ' 35' ' ' THR . 14.9 p -150.08 147.79 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.565 ' CE1' HD12 ' A' ' 82' ' ' LEU . 3.0 t80 -145.41 127.51 15.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -103.22 102.91 12.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 80' ' ' TYR . 2.6 mm? -73.31 107.17 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -89.86 179.12 6.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 60.81 61.39 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.6 mt -122.79 174.14 7.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.19 -175.95 6.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -114.22 130.75 56.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.48 ' N ' ' HG1' ' A' ' 114' ' ' THR . 7.6 t80 48.05 55.53 8.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.51 145.28 50.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -74.28 118.38 17.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.528 ' CE1' ' HA ' ' A' ' 57' ' ' GLU . 1.5 m-85 -125.55 129.52 49.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.47 135.65 12.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.07 152.78 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 0.791 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.1 m -137.73 119.8 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.426 HG11 ' CD2' ' A' ' 36' ' ' TRP . 17.4 t -92.56 145.68 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -152.95 140.64 19.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.39 132.18 36.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.595 ' C ' ' CD1' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -124.62 137.82 54.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -123.42 178.33 5.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -64.02 -26.69 68.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.72 -25.94 61.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.9 -171.57 29.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 34.6 m -105.06 148.09 27.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -101.23 -171.71 28.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 157.76 42.7 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 m -99.22 165.81 11.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.0 p -80.29 166.82 20.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.8 p -50.58 155.88 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -79.68 117.69 20.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -109.38 -172.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -152.62 165.21 35.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.38 69.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.0 m -39.31 113.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.48 ' HG1' ' N ' ' A' ' 88' ' ' PHE . 2.8 p -48.26 176.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 33.3 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 150.97 38.68 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -122.52 42.5 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.62 135.72 2.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.28 18.63 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 164.11 33.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.4 mmm -107.28 172.31 6.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t70 54.78 36.24 25.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.58 111.88 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 t -151.98 158.51 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.504 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 48.0 mt -108.59 165.47 11.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.18 118.29 0.73 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.276 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HB2' ' CD2' ' A' ' 115' ' ' LEU . 18.2 Cg_endo -75.0 115.63 4.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 m -100.77 -31.5 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.506 ' OG1' ' CB ' ' A' ' 31' ' ' SER . 74.7 p -125.93 -163.79 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 m -95.49 -23.0 17.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -133.87 39.89 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.506 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.5 OUTLIER -164.65 137.79 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.486 ' CD1' HG21 ' A' ' 114' ' ' THR . 87.8 mt -124.68 146.55 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.422 ' N ' HG22 ' A' ' 32' ' ' ILE . 31.1 tt0 -98.77 134.61 41.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.504 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 72.3 t -124.18 113.52 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.495 ' CG2' ' CG2' ' A' ' 79' ' ' VAL . 1.1 p -114.96 141.36 48.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.49 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 17.7 p90 -152.14 158.73 43.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 107.993 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . 19.7 mtpt -114.32 158.65 21.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . -39.91 141.62 0.76 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 171.71 17.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -38.0 132.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -60.68 -54.34 46.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -62.13 -21.11 64.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -110.67 51.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -106.34 -53.08 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 2.1 m120 70.41 59.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.591 1.182 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.47 161.49 9.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' ' 48' ' ' ILE . 53.6 t -42.96 161.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.513 HG23 ' CE1' ' A' ' 51' ' ' TYR . 4.4 mm -106.44 132.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -82.74 -27.9 30.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.433 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 173.63 -173.58 45.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.605 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 28.6 m-85 -141.69 162.29 35.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -112.34 149.96 31.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.491 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 4.6 mp -130.82 95.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.41 115.0 4.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.493 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 24.0 p90 -129.92 142.51 50.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.645 ' NE ' ' CE1' ' A' ' 66' ' ' TYR . 8.1 ptt180 -157.01 148.78 22.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.492 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 7.2 tt0 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.645 ' CE1' ' NE ' ' A' ' 56' ' ' ARG . 24.7 m-85 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.543 0.211 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.5 m -71.43 106.38 3.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.978 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.4 mm -82.99 144.63 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -143.56 112.59 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -84.19 138.38 33.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -141.74 -177.82 5.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.415 ' O ' ' SD ' ' A' ' 71' ' ' MET . 4.4 mttm -95.87 154.78 17.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.078 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.25 97.27 11.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 74.2 p -47.93 -37.61 14.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.38 -132.99 2.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 38' ' ' ALA . 1.9 m-20 -66.08 -37.54 86.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.5 p -120.22 145.16 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.598 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 1.3 mp0 -131.79 156.56 45.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.495 ' CG2' ' CG2' ' A' ' 35' ' ' THR . 12.8 p -146.0 146.35 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.599 ' CE1' HD11 ' A' ' 82' ' ' LEU . 6.3 t80 -146.53 138.15 24.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.5 m -108.0 106.44 16.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.599 HD11 ' CE1' ' A' ' 80' ' ' TYR . 2.9 mm? -78.74 106.17 10.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.04 -176.22 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.088 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 61.58 46.28 7.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.436 ' CD1' ' O ' ' A' ' 82' ' ' LEU . 38.6 mt -108.14 166.98 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -77.96 -170.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -121.22 138.13 54.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.5 t80 45.61 36.6 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.17 143.91 49.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.45 ' NE2' ' OD1' ' A' ' 111' ' ' ASN . 43.8 tt0 -74.62 133.43 42.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.492 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 5.8 m-85 -133.08 128.37 36.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.81 124.55 7.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.493 ' HB ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -132.68 161.2 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 21.8 m -131.23 173.33 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.478 HG11 ' CZ3' ' A' ' 36' ' ' TRP . 19.3 t -144.25 140.39 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -146.81 149.66 33.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.605 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.0 129.66 36.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -125.25 132.23 52.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -124.41 177.01 6.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -23.14 56.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.0 -24.37 59.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.78 -155.21 26.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.6 m -119.74 152.76 36.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 110.395 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -100.35 -172.55 29.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 160.01 40.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.4 p -76.02 169.5 18.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.37 159.66 15.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.86 117.58 1.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.67 145.19 40.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.78 -174.0 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.45 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 23.9 m-80 -153.33 146.9 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -151.77 87.65 1.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.7 m -58.94 105.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.486 HG21 ' CD1' ' A' ' 32' ' ' ILE . 80.9 p -41.18 155.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 26' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 131.7 14.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -103.5 56.25 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.39 138.28 2.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.85 15.54 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 160.26 40.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.4 mtp -106.26 178.67 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 t0 51.84 31.19 7.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.08 107.0 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 t -139.8 154.79 47.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 mt -117.16 158.92 23.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -164.4 121.92 1.16 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 118.94 5.44 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 m -105.61 -40.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.501 ' OG1' ' CB ' ' A' ' 31' ' ' SER . 54.0 p -119.55 178.9 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.375 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -82.2 -22.63 35.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -129.29 48.6 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.501 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.2 OUTLIER -177.51 170.01 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 33' ' ' GLN . 50.5 mt -152.39 159.75 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.413 ' N ' HG21 ' A' ' 32' ' ' ILE . 50.5 tt0 -104.3 124.96 50.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 79' ' ' VAL . 41.8 t -117.56 118.71 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.475 ' CG2' HG21 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -121.73 140.36 52.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 30.8 p90 -154.23 161.98 41.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.019 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -116.93 172.88 6.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.58 137.2 42.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.24 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 98.79 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.4 -168.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -118.99 -47.55 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -76.17 -12.1 60.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.14 -20.52 18.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -51.3 -26.97 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 41.37 42.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.95 174.52 24.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.9 m -54.71 176.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.732 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.4 mm -125.6 145.46 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.29 -25.76 14.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.442 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 168.07 -178.12 41.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.675 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 10.3 m-85 -136.21 153.57 51.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.424 ' NE2' HG22 ' A' ' 68' ' ' ILE . 45.8 mt-30 -105.09 135.48 46.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.484 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 4.3 mp -119.31 111.47 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -104.79 127.96 9.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 39.1 p90 -135.81 139.06 43.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 0.771 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -154.49 138.77 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.527 ' HA ' ' CE1' ' A' ' 91' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 19.6 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.507 0.194 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.573 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 75.4 m -76.21 105.62 7.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.424 HG22 ' NE2' ' A' ' 52' ' ' GLN . 32.0 mm -85.48 147.68 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.513 ' HB ' ' CZ ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -137.61 117.65 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -79.94 137.72 36.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 3.5 ppp? -139.33 177.83 7.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.45 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -121.8 147.25 46.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.27 142.49 31.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 p -129.29 12.5 6.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 110.349 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.81 -139.95 6.13 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -97.22 -38.28 9.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.268 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.404 ' O ' ' OE2' ' A' ' 78' ' ' GLU . 22.4 p -106.04 130.6 53.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.41 ' HB3' ' CE ' ' A' ' 71' ' ' MET . 32.3 mm-40 -126.37 160.89 29.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.475 HG21 ' CG2' ' A' ' 35' ' ' THR . 8.2 p -147.52 147.73 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.54 ' CD1' HD11 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -142.04 123.86 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.0 m -90.11 96.29 10.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.54 HD11 ' CD1' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -69.91 106.16 3.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.63 -179.37 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 63.85 67.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.445 HD12 ' CA ' ' A' ' 31' ' ' SER . 19.6 mt -128.2 -171.17 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.88 161.99 14.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' PHE . 7.4 mttt -79.06 135.0 36.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 115' ' ' LEU . 15.1 t80 36.71 63.35 0.67 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.4 ' N ' ' OG1' ' A' ' 114' ' ' THR . . . -136.62 135.21 38.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.478 ' CG ' ' HB3' ' A' ' 111' ' ' ASN . 4.3 tt0 -74.19 130.27 39.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.527 ' CE1' ' HA ' ' A' ' 57' ' ' GLU . 5.1 m-85 -131.6 123.11 27.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.03 104.54 3.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.5 157.11 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.729 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.4 m -122.01 178.91 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.1 135.57 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -148.18 140.85 24.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.675 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.19 118.86 30.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 5.5 p90 -107.23 129.87 54.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 99' ' ' ASN . 0.5 OUTLIER -124.47 164.22 20.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -24.95 38.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.37 -19.81 60.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.26 -166.87 29.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.402 HG21 ' CB ' ' A' ' 98' ' ' PHE . 4.8 m -114.46 142.69 46.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 0.796 . . . . 0.0 110.399 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -94.36 175.56 34.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.77 42.26 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.67 167.97 15.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.1 170.66 9.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.29 115.13 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.9 129.91 44.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.41 -162.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.478 ' HB3' ' CG ' ' A' ' 90' ' ' GLN . 84.3 m-20 -152.74 139.77 19.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -156.11 97.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 114' ' ' THR . 23.9 m -67.57 123.35 20.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.435 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 113' ' ' THR . 4.7 p -49.99 -177.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 88' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 149.54 36.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -123.07 57.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.22 135.93 1.9 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 174.39 12.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.58 24.51 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -108.53 159.56 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.9 t0 61.0 47.73 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.444 ' CG1' HG23 ' A' ' 95' ' ' VAL . 6.2 t -86.16 105.82 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -149.36 153.06 36.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.54 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -106.4 158.97 16.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.83 115.69 3.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.447 ' HB2' ' CD1' ' A' ' 115' ' ' LEU . 18.2 Cg_endo -75.01 109.67 2.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -102.79 -38.31 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.497 ' OG1' ' CB ' ' A' ' 31' ' ' SER . 13.3 p -111.29 -170.93 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -89.01 -36.67 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -123.37 45.41 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.497 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.7 OUTLIER -167.44 151.56 6.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 33' ' ' GLN . 79.3 mt -135.64 145.08 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.416 ' N ' HG21 ' A' ' 32' ' ' ILE . 21.0 tt0 -96.96 122.56 40.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.427 ' CG2' HD11 ' A' ' 24' ' ' LEU . 42.5 t -108.76 122.88 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.464 ' CG2' HG22 ' A' ' 79' ' ' VAL . 0.8 OUTLIER -126.09 135.48 51.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.388 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.415 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 14.5 p90 -149.22 170.16 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 108.03 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -124.91 158.91 32.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -39.94 143.71 0.58 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.02 -179.23 4.79 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' PRO . 2.4 mptp? -38.5 145.67 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HA ' ' NE2' ' A' ' 44' ' ' GLN . 36.2 tptt -68.35 -57.27 6.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -84.09 48.15 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 44' ' ' GLN . 15.0 mt -147.58 -45.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' LEU . 4.0 mt-30 -33.08 -41.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 58.91 57.03 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.68 -177.01 29.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.6 p -67.42 161.08 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.607 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 4.6 mm -110.61 127.45 67.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -79.99 -32.34 39.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.607 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 177.16 179.76 47.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.632 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 18.2 m-85 -135.21 147.04 49.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -98.22 151.54 20.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.454 HG22 ' CD1' ' A' ' 82' ' ' LEU . 4.3 mp -131.79 102.56 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.452 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -96.31 109.38 3.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.416 ' HB2' ' CG1' ' A' ' 93' ' ' VAL . 23.2 p90 -124.51 141.88 51.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.58 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.7 152.91 27.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.58 ' CD1' ' HG2' ' A' ' 56' ' ' ARG . 11.6 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.46 0.171 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.405 ' CB ' ' CE1' ' A' ' 55' ' ' TYR . 36.4 m -64.62 105.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.452 HD13 ' CA ' ' A' ' 54' ' ' GLY . 42.5 mm -84.99 147.62 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.07 112.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.32 146.9 31.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.48 ' HB3' ' CE1' ' A' ' 80' ' ' TYR . 8.0 ptm -157.58 149.88 22.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 152.25 32.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.42 115.15 26.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.9 p -58.98 -41.66 88.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.345 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.46 -132.32 2.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.35 -41.84 94.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.8 p -112.52 148.84 33.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 14.5 mp0 -137.73 150.89 47.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.464 HG22 ' CG2' ' A' ' 35' ' ' THR . 7.2 p -149.26 146.91 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.48 ' CE1' ' HB3' ' A' ' 71' ' ' MET . 27.7 t80 -140.09 128.0 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m -82.67 104.16 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.454 ' CD1' HG22 ' A' ' 53' ' ' ILE . 64.2 mt -86.01 106.47 17.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.72 -177.64 3.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 62.4 62.7 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 44.9 mt -121.23 -172.23 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.4 161.18 13.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -91.03 129.94 36.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.2 t80 46.0 66.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.54 143.78 25.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -74.51 141.76 44.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -141.71 133.71 27.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.33 107.26 1.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.416 ' CG1' ' HB2' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -109.7 161.63 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.2 m -132.1 139.84 49.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.444 HG23 ' CG1' ' A' ' 22' ' ' VAL . 10.1 t -113.2 146.59 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -153.15 149.43 28.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.632 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.28 128.5 37.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 1.1 p90 -124.19 131.58 53.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -124.55 178.36 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -66.12 -12.85 58.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.96 -23.96 33.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.57 -153.29 24.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.105 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 m -125.25 143.18 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -89.31 -173.26 46.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 162.5 37.01 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 83.9 p -86.56 150.31 24.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.2 p -84.54 168.52 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.66 119.3 6.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -66.02 112.52 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.473 ' HB ' ' CD2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -89.1 -163.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -152.48 135.36 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.54 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.24 91.93 1.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.8 m -61.85 132.24 52.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.69 167.55 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' A' ' 26' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.53 35.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -120.96 56.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.15 137.31 2.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 168.34 25.06 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.7 mtp -111.67 171.49 7.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.0 t0 52.24 45.31 28.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.455 HG22 ' CB ' ' A' ' 107' ' ' SER . 8.6 t -85.63 106.13 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -146.05 150.61 36.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.519 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 0.3 OUTLIER -104.69 166.33 10.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -167.28 115.91 0.68 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 109.73 2.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.505 1.792 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m -93.41 -33.85 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 p -116.8 -148.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 p -108.01 -32.32 7.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.031 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -124.82 45.42 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.446 ' O ' ' CG1' ' A' ' 32' ' ' ILE . 1.1 p -163.49 170.03 17.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 31' ' ' SER . 28.0 mt -154.75 138.96 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.432 ' N ' HG21 ' A' ' 32' ' ' ILE . 1.1 tp60 -92.2 110.47 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.9 t -99.1 109.6 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.477 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.1 p -112.11 136.17 51.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 38.1 p90 -148.42 161.56 41.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 107.994 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . 18.3 mttt -118.27 155.42 30.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.49 144.73 0.46 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.5 Cg_endo -74.89 171.59 17.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -39.19 131.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.08 -42.31 99.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.23 -3.55 27.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 mt -117.5 31.88 6.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -117.71 93.85 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -75.18 60.46 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.92 175.91 32.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.4 p -52.63 168.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.504 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 4.1 mm -116.53 132.6 65.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 49' ' ' ARG . 4.9 mmm180 -83.07 -33.03 26.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 173.24 176.68 41.94 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.676 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 7.5 m-85 -131.36 136.81 48.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.741 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -84.61 142.43 29.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.516 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 3.9 mp -120.85 96.08 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.62 118.76 5.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.534 ' CD2' ' HG ' ' A' ' 82' ' ' LEU . 48.2 p90 -134.94 139.82 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.766 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.577 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -156.34 157.35 35.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.494 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 3.1 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 9.1 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.54 0.209 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.2 m -62.42 107.32 0.9 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.7 mm -88.74 147.22 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.41 119.73 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.69 137.53 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' A' ' 78' ' ' GLU . 1.3 ppp? -144.71 -178.45 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.448 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -122.79 150.32 42.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.97 125.57 29.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.7 p -108.7 31.18 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.01 -156.66 22.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.147 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.33 -30.04 63.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 0.746 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 p -118.36 151.4 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.413 1.071 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.461 ' HB3' ' CE ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -137.8 163.4 31.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.477 ' CG2' HG22 ' A' ' 35' ' ' THR . 13.8 p -151.72 148.89 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.565 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -146.0 130.68 17.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.8 m -96.32 92.87 6.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.42 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -70.44 106.76 3.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -95.13 -172.12 2.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 61.54 55.68 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.6 mt -116.58 179.39 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.23 150.26 21.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -82.22 122.14 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.1 t80 62.52 63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.81 139.77 20.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -75.78 138.07 40.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.494 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 15.1 m-85 -138.49 132.29 31.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.42 108.18 1.85 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -103.66 164.19 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 m -138.86 122.02 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 20.0 t -95.06 146.76 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -150.68 146.1 26.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.676 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.2 121.69 33.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -119.87 132.44 55.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -124.29 178.32 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -63.4 -19.01 64.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.72 -24.47 49.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.4 -158.98 27.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.434 HG21 ' CB ' ' A' ' 98' ' ' PHE . 2.2 m -118.26 145.75 44.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -100.9 -168.0 28.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.01 39.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.788 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.63 163.87 13.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.455 ' CB ' HG22 ' A' ' 22' ' ' VAL . 99.3 p -86.13 164.71 17.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.26 123.73 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -65.2 130.68 44.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.491 ' CD1' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -114.33 -163.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -153.51 142.11 20.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.519 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.86 92.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 47.3 m -60.25 114.75 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 39.8 p -54.5 156.99 3.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.429 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.7 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 -179.94 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 18.4 Cg_endo -74.98 139.17 24.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.784 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -109.66 45.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.404 ' HA2' ' HD3' ' A' ' 18' ' ' PRO . . . 178.78 142.32 4.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.98 174.29 13.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 168.32 25.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.3 mtp -107.55 162.92 13.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 56.09 50.63 13.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 t -88.63 106.17 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -146.25 151.45 37.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.526 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 0.3 OUTLIER -103.9 164.72 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -160.91 115.48 1.34 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.81 2.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.438 1.757 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.4 m -88.12 -35.79 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.1 p -120.6 -148.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.46 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.41 -23.22 10.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -126.57 40.44 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.346 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -164.97 168.39 17.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.2 mt -153.33 137.48 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -93.32 129.17 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.476 HG22 ' CD2' ' A' ' 82' ' ' LEU . 43.2 t -116.36 113.81 44.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.479 ' CG2' HG22 ' A' ' 79' ' ' VAL . 1.1 p -113.77 134.35 54.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.392 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.504 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 28.3 p90 -146.78 176.95 9.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -135.14 162.13 33.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -43.96 140.36 2.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.98 171.64 17.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.5 1.79 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -39.84 157.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.87 -51.25 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -65.04 -11.16 36.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.275 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -106.09 -20.31 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -50.51 -47.11 57.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 59.88 42.62 16.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.43 -158.84 14.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.0 p -90.58 169.75 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.447 HG22 ' CE1' ' A' ' 51' ' ' TYR . 5.1 mm -113.76 150.09 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -115.32 -34.28 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.571 ' HA3' ' CZ ' ' A' ' 98' ' ' PHE . . . -174.7 172.03 45.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.701 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 6.0 m-85 -131.42 151.78 51.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.418 ' NE2' HG23 ' A' ' 68' ' ' ILE . 41.8 mt-30 -105.14 134.58 48.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.468 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 4.5 mp -111.78 105.87 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.429 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -97.02 107.44 3.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.495 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 27.9 p90 -124.77 142.89 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.576 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.21 145.42 20.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.576 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 6.1 m-85 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.523 0.202 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.495 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 14.9 m -62.78 107.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.429 HD13 ' CA ' ' A' ' 54' ' ' GLY . 32.6 mm -89.63 148.58 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.539 HG23 ' CE2' ' A' ' 80' ' ' TYR . 0.2 OUTLIER -144.27 112.94 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.35 136.42 35.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.409 ' SD ' HD13 ' A' ' 53' ' ' ILE . 5.1 ptm -153.02 152.42 31.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 149.61 26.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.36 137.26 34.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.1 p -91.62 28.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 125.01 -140.35 12.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -72.93 -22.6 60.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 0.752 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.408 ' C ' ' CD ' ' A' ' 78' ' ' GLU . 76.6 p -119.4 153.31 35.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.504 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 17.5 mp0 -147.04 156.44 43.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.479 HG22 ' CG2' ' A' ' 35' ' ' THR . 9.2 p -151.09 148.9 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.539 ' CE2' HG23 ' A' ' 69' ' ' VAL . 21.1 t80 -146.5 133.79 20.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 111.068 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -102.7 109.29 20.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.425 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 34' ' ' VAL . 2.7 mm? -78.7 106.68 10.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.4 OUTLIER -93.83 160.15 14.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 5.1 m-20 81.02 55.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.5 mt -118.85 172.52 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -87.07 157.76 19.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -90.65 127.54 36.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.9 t80 57.71 44.36 20.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.053 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -125.72 142.78 51.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -74.95 133.58 41.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 18.7 m-85 -135.9 127.9 29.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.21 100.26 1.07 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -100.72 163.4 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.27 128.43 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 t -98.42 148.13 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -153.36 139.86 18.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.701 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.2 133.54 35.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 2.3 p90 -129.17 137.21 51.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 15' ' ' PRO . 10.5 p30 -124.2 178.31 5.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -64.33 -13.15 48.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.35 -18.52 31.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.46 -169.58 25.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.1 m -108.07 153.58 22.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -102.03 -175.84 27.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 157.3 42.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 p -82.29 160.22 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.46 176.77 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.82 118.31 6.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -65.04 120.35 12.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.489 ' HB ' ' CD2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -99.78 -163.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -151.77 138.06 18.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.526 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -152.05 100.0 2.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.1 m -68.61 127.93 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.439 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.68 164.81 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.408 ' N ' ' HB2' ' A' ' 101' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 121.18 6.44 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -91.85 35.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.409 ' HA2' ' HD3' ' A' ' 18' ' ' PRO . . . -173.07 137.23 4.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -75.02 173.57 14.29 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.58 38.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' LYS . 38.6 mtp -107.95 168.65 9.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.5 t0 56.14 27.21 11.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.459 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 1.2 m -85.47 118.26 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -153.57 146.79 24.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.507 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 0.9 OUTLIER -89.19 164.98 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -160.35 116.88 1.46 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.43 ' HB2' ' CD2' ' A' ' 115' ' ' LEU . 18.4 Cg_endo -74.96 114.52 4.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.5 m -107.44 -36.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 p -119.25 -164.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -91.04 -40.94 11.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -121.88 52.24 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.34 140.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.7 mt -133.4 149.03 30.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -95.53 145.89 24.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 24' ' ' LEU . 21.7 t -130.36 106.12 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.501 ' CG2' ' CG2' ' A' ' 79' ' ' VAL . 0.9 OUTLIER -114.56 132.86 56.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.375 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.535 ' CZ2' ' HB2' ' A' ' 78' ' ' GLU . 48.1 p90 -142.94 177.27 8.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 107.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' MET . 7.3 mttt -128.78 164.9 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.444 ' CA ' ' O ' ' A' ' 76' ' ' ASP . . . -44.48 137.12 4.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.02 105.92 2.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.458 1.767 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.7 OUTLIER 47.65 -174.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -113.79 -52.41 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -90.68 36.37 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.478 ' O ' ' C ' ' A' ' 44' ' ' GLN . 13.6 mt -131.02 -41.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' A' ' 43' ' ' LEU . 5.5 mt-30 -32.46 -44.54 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 58.95 46.59 13.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.98 160.15 20.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.7 t -48.64 155.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.503 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.7 mm -104.49 134.64 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -85.35 -27.91 25.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.437 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 170.46 -178.08 43.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.661 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 9.2 m-85 -135.56 154.51 51.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -107.68 130.47 54.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.452 HD11 ' N ' ' A' ' 53' ' ' ILE . 4.4 mp -113.51 101.34 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 93' ' ' VAL . . . -97.65 107.57 3.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.48 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 53.6 p90 -121.32 144.98 48.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.96 145.94 20.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.563 ' HA ' ' CD1' ' A' ' 91' ' ' TYR . 1.6 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 7.8 m-85 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.497 0.189 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.1 m -66.7 106.69 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.956 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.5 mm -90.97 141.76 13.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.16 112.06 15.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -86.08 134.7 33.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.255 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 3.1 ppp? -141.77 -174.36 4.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.417 ' O ' ' SD ' ' A' ' 71' ' ' MET . 3.6 mttm -104.21 158.96 16.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.2 96.9 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.0 p -53.68 -50.72 65.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.82 -134.19 2.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.444 ' O ' ' CA ' ' A' ' 38' ' ' ALA . 69.9 m-20 -76.63 -35.3 58.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.401 ' O ' ' OE2' ' A' ' 78' ' ' GLU . 59.8 p -113.7 154.05 27.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.535 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 28.1 mm-40 -139.64 169.12 18.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.501 ' CG2' ' CG2' ' A' ' 35' ' ' THR . 7.5 p -151.15 150.67 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.421 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -147.23 136.81 22.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.2 m -104.55 94.54 5.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.426 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -69.66 121.05 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -115.12 167.75 10.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER 79.07 45.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.7 mt -104.85 -170.78 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.93 -171.81 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -107.59 131.49 54.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.7 t80 39.08 65.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.72 139.77 31.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -74.28 134.06 42.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.563 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 12.0 m-85 -134.41 123.06 23.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.8 133.26 11.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 94' ' ' VAL . 0.2 OUTLIER -135.5 163.22 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.491 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 10.9 m -136.26 119.45 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 37.1 t -90.09 140.65 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -153.62 137.29 16.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.661 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.44 134.84 34.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 7.1 p90 -128.09 136.59 51.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -124.7 177.73 5.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -62.05 -23.42 66.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.408 ' HB2' ' N ' ' A' ' 14' ' ' ALA . . . -75.76 -25.0 56.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 143.42 -176.2 23.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.2 m -98.81 157.02 16.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.759 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -111.87 -167.66 18.09 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.502 1.126 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.0 41.87 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.15 160.15 14.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.79 179.03 5.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -65.05 122.89 18.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 108' ' ' SER . 39.8 tt0 -37.85 104.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.479 HD13 ' CD2' ' A' ' 24' ' ' LEU . 9.0 pt -95.28 171.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -154.63 174.92 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.507 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . 176.1 110.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 m -77.82 130.05 36.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.42 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 4.7 p -57.86 172.23 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.445 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 26' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' N ' ' HB1' ' A' ' 101' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 18.1 Cg_endo -75.11 132.67 15.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -103.0 40.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.14 136.9 4.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.28 13.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 164.85 32.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.9 mtp -119.52 166.42 13.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t0 52.28 29.98 7.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.436 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 1.1 m -84.85 119.8 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.1 t -151.27 164.41 36.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 87.6 mt -107.83 167.34 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -166.93 121.28 0.84 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HB2' ' CD2' ' A' ' 115' ' ' LEU . 18.3 Cg_endo -75.03 117.15 4.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.557 1.82 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 m -102.49 -36.91 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.473 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 18.4 p -124.91 -151.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.6 m -112.7 -11.22 13.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -134.65 28.17 3.62 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -159.7 166.66 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.9 mt -152.79 142.07 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -89.52 145.21 25.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.47 HG22 ' CD2' ' A' ' 82' ' ' LEU . 21.5 t -134.22 113.51 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.469 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -117.63 134.96 54.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.469 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.453 ' NE1' ' OE1' ' A' ' 78' ' ' GLU . 27.4 p90 -148.18 163.06 38.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 107.961 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.7 159.0 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -44.97 145.83 1.53 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.98 167.66 26.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.772 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -37.24 149.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -76.88 -44.16 33.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.81 -1.82 23.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.0 mt -118.15 3.91 12.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -70.27 -39.55 74.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 50.81 37.06 16.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.57 -161.73 16.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.2 p -89.96 171.94 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 0.756 . . . . 0.0 109.241 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.509 HG22 ' CZ ' ' A' ' 51' ' ' TYR . 3.0 mm -117.38 133.97 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -96.16 -28.29 14.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.57 ' HA3' ' CZ ' ' A' ' 98' ' ' PHE . . . 179.33 173.53 44.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.678 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 5.8 m-85 -129.16 151.95 49.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.417 ' NE2' HG23 ' A' ' 68' ' ' ILE . 54.9 mt-30 -106.86 128.85 54.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.486 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 4.9 mp -111.06 102.88 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.62 107.65 3.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.084 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CE1' HD13 ' A' ' 82' ' ' LEU . 34.0 p90 -124.0 142.68 50.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 0.812 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 1.5 ptm180 -156.92 143.31 18.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.529 ' HA ' ' CD1' ' A' ' 91' ' ' TYR . 1.2 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD1' ' HG2' ' A' ' 56' ' ' ARG . 14.5 m-85 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.522 0.201 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.5 m -62.53 108.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.417 HG23 ' NE2' ' A' ' 52' ' ' GLN . 39.9 mm -86.08 144.41 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.486 ' CG2' ' HB ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -139.18 113.11 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -84.1 130.01 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 80' ' ' TYR . 7.3 ptm -144.62 148.42 34.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -72.26 150.18 43.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.38 109.16 20.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 77' ' ' SER . 46.3 p -52.24 -26.86 12.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.91 -136.01 4.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.555 1.159 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -61.57 -33.75 74.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.415 ' O ' ' OG1' ' A' ' 74' ' ' THR . 12.3 p -119.56 150.29 40.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.453 ' OE1' ' NE1' ' A' ' 36' ' ' TRP . 6.9 mp0 -141.46 161.95 36.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' A' ' 35' ' ' THR . 7.5 p -151.91 149.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.458 ' CD1' ' SD ' ' A' ' 71' ' ' MET . 13.1 t80 -146.61 149.1 32.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.17 107.16 13.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.574 HD13 ' CE1' ' A' ' 55' ' ' TYR . 2.7 mm? -77.38 106.16 8.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.3 OUTLIER -93.79 164.67 13.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 10.1 m-80 78.49 49.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.0 mt -112.86 162.98 15.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 176.9 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -100.75 133.59 44.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.415 ' N ' ' OG1' ' A' ' 114' ' ' THR . 6.1 t80 44.71 66.95 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.98 137.71 25.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -74.57 120.97 20.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.529 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 9.9 m-85 -119.81 123.31 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.12 126.03 8.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.534 ' CG1' ' CB ' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -129.2 164.11 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.6 122.36 52.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 96' ' ' GLN . 39.6 t -89.37 146.16 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.416 ' N ' HG13 ' A' ' 95' ' ' VAL . 2.5 pt20 -152.88 136.63 16.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.678 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -93.53 131.8 38.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.57 ' CZ ' ' HA3' ' A' ' 50' ' ' GLY . 1.6 p90 -124.79 138.71 54.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.411 ' ND2' ' HD3' ' A' ' 15' ' ' PRO . 25.1 p30 -122.23 178.5 4.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -27.68 64.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.422 ' HB1' ' N ' ' A' ' 14' ' ' ALA . . . -71.74 -21.79 61.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.84 -159.02 26.42 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.5 m -109.32 153.7 23.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.399 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.98 -162.81 21.16 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 164.9 32.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.3 157.93 16.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 108' ' ' SER . 2.4 p -85.85 167.07 15.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 107' ' ' SER . 0.9 OUTLIER -39.9 159.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -81.92 84.31 6.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.446 HD12 ' CD2' ' A' ' 24' ' ' LEU . 23.7 pt -68.79 169.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -153.16 173.55 15.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . 178.49 97.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.2 m -67.64 126.99 31.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 88' ' ' PHE . 4.9 p -55.85 171.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.07 -57.82 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 110.036 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 t -115.32 136.74 52.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.62 -135.83 3.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -166.31 124.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 0.745 . . . . 0.0 109.99 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 p -144.83 116.87 8.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.014 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.69 66.54 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 88.3 mt 41.24 67.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.3 p -177.16 100.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.97 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.52 ' CG2' ' O ' ' A' ' 10' ' ' THR . 1.0 OUTLIER -87.35 10.38 17.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -179.11 126.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -86.87 175.78 8.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.87 143.97 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.73 151.23 15.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.45 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.1 Cg_endo -75.04 138.63 23.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.36 23.99 12.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.91 146.16 10.78 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.46 14.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.9 37.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.6 mtp -103.65 178.36 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' THR . 49.6 t0 48.32 30.75 2.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.57 110.62 12.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 t -154.62 158.61 39.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.528 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 56.3 mt -107.01 160.18 15.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -159.06 118.23 1.72 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.84 5.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.78 -36.47 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 p -121.2 -144.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.433 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -107.95 -47.25 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -110.92 42.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.245 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.39 151.86 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.056 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.431 ' CG1' HG21 ' A' ' 114' ' ' THR . 86.2 mt -139.85 150.51 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -100.18 127.02 46.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.528 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 68.7 t -113.17 113.86 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.472 HG21 ' CG2' ' A' ' 79' ' ' VAL . 1.7 p -115.11 142.62 46.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 20.3 p90 -156.15 162.37 40.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 107.95 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -115.0 169.6 8.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.66 137.62 62.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 101.88 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? 46.86 -170.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -117.33 -44.89 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -76.0 -31.07 58.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 45' ' ' ASN . 58.9 mt -74.85 -33.25 62.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' LEU . 6.9 mt-30 -38.5 -31.36 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 43' ' ' LEU . 97.5 m-20 41.28 60.26 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.77 166.88 42.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 48' ' ' ILE . 71.5 t -52.04 166.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.455 ' N ' ' CG1' ' A' ' 47' ' ' VAL . 5.1 mm -116.45 137.17 51.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -83.86 -31.96 25.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.58 178.79 41.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.689 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 6.8 m-85 -131.49 164.35 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 0.738 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -113.64 129.65 56.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.481 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 4.0 mp -113.92 98.67 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.469 ' CA ' HD12 ' A' ' 68' ' ' ILE . . . -95.34 119.57 6.22 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.504 ' CD1' HD23 ' A' ' 82' ' ' LEU . 23.4 p90 -129.74 145.24 51.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.571 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -156.44 146.12 20.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.572 ' HA ' ' CE1' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -47.4 157.75 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -109.01 25.57 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.79 162.6 56.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.98 29.61 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.502 1.791 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.48 -12.57 39.52 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.5 t -74.98 157.11 35.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.976 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -46.06 -38.45 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.04 -73.64 0.83 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -43.52 121.97 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 56' ' ' ARG . 14.0 m-85 -60.19 115.02 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.424 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 45.6 m -64.36 107.0 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.469 HD12 ' CA ' ' A' ' 54' ' ' GLY . 27.5 mm -84.56 145.25 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -135.89 118.16 21.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 71' ' ' MET . 2.1 tt0 -80.6 140.71 35.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.427 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 3.6 ppp? -149.32 178.38 8.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.416 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -117.37 151.87 36.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.29 100.51 11.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.3 p -60.8 -39.23 88.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.07 -144.57 4.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.32 -47.9 72.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.4 p -98.28 143.33 28.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.444 ' OE1' ' CE1' ' A' ' 51' ' ' TYR . 3.7 mt-10 -135.21 154.38 51.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 35' ' ' THR . 10.3 p -150.31 150.89 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.26 121.21 10.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.7 m -86.23 100.6 12.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.504 HD23 ' CD1' ' A' ' 55' ' ' TYR . 11.5 mt -78.15 107.64 10.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.37 -175.66 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 62.06 57.92 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.6 mt -117.18 -176.57 3.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.18 177.8 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -100.13 128.72 46.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.356 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.8 t80 38.3 63.58 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.86 149.21 43.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -74.9 137.1 41.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.572 ' CE1' ' HA ' ' A' ' 57' ' ' GLU . 5.4 m-85 -139.93 137.49 34.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.6 124.61 6.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -131.21 157.94 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.79 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.406 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 16.5 m -126.05 163.22 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.1 t -134.81 134.67 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -143.7 143.92 31.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.689 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.48 123.09 34.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 2.9 p90 -120.79 129.01 53.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 102' ' ' GLY . 14.0 p30 -122.9 178.3 5.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -64.97 -26.68 68.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.57 -26.21 63.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.422 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 148.52 -171.15 28.95 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.533 1.145 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.9 m -109.55 160.24 16.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.15 -171.52 17.39 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.33 31.5 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.461 1.769 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.9 p -87.46 172.71 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.49 162.46 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.58 113.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -45.52 124.3 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.6 pt -112.33 -178.31 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -152.65 172.91 15.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . 177.85 99.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.2 m -64.79 116.45 6.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.431 HG21 ' CG1' ' A' ' 32' ' ' ILE . 11.7 p -49.41 157.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.446 ' N ' HD11 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -54.1 171.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.29 9.93 31.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.92 170.19 22.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -73.72 174.78 48.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 166.05 30.04 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.34 126.41 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.2 m -64.16 96.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -165.68 116.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 m 57.25 173.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.63 -162.74 11.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.17 89.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.767 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.0 136.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.28 136.41 4.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.3 pt -107.1 157.69 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.75 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.5 p -149.05 72.85 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.052 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.4 m -98.66 -144.93 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.72 54.6 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.0 162.91 18.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.14 145.01 51.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.401 ' N ' ' HB3' ' A' ' 101' ' ' ALA . . . -48.56 163.49 0.31 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 143.61 29.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -114.61 46.27 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.94 140.32 4.62 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.79 15.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 158.51 42.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.4 ' O ' ' N ' ' A' ' 37' ' ' LYS . 47.8 mmm -102.18 172.6 6.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 57.6 t0 53.31 21.15 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.4 t -65.92 106.2 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 t -150.41 154.57 37.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.504 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 26.3 mt -106.86 165.43 11.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -164.86 118.07 0.96 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 107.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.426 1.75 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 m -92.98 -34.29 5.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 p -120.21 -154.04 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.43 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 p -111.84 -12.03 13.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -135.48 18.25 3.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 t -146.93 166.41 26.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 33' ' ' GLN . 64.7 mt -147.76 147.71 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.412 ' N ' HG23 ' A' ' 32' ' ' ILE . 3.4 tt0 -100.83 110.26 22.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.504 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 62.4 t -99.14 108.68 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.451 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.4 p -114.07 138.96 49.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.558 ' CZ3' HG12 ' A' ' 95' ' ' VAL . 14.3 p90 -148.07 -176.93 5.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 108.028 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.2 mtpt -136.73 162.15 33.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.27 141.79 8.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 167.77 26.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' GLN . 1.0 OUTLIER -37.94 139.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -51.93 45.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -64.78 -12.86 52.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.4 mt -104.16 -20.39 13.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 40' ' ' LYS . 4.9 mt-30 -54.29 -35.68 62.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 50.24 40.11 21.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.83 171.0 20.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.0 m -53.92 -178.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.5 mm -128.04 150.03 33.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -100.24 -31.12 11.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.405 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 173.77 177.1 42.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.689 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 7.0 m-85 -132.78 150.62 52.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -101.08 129.96 47.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.465 HG21 ' CD1' ' A' ' 82' ' ' LEU . 4.1 mp -108.94 96.73 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.476 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -95.58 123.66 7.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.606 ' CE1' ' OG ' ' A' ' 67' ' ' SER . 32.0 p90 -145.87 143.83 29.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.567 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 2.0 ptm180 -156.64 148.16 22.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -48.2 148.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.364 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.74 37.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.74 164.45 53.31 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.8 3.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.439 1.757 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 42.93 59.27 3.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' ASN . 4.0 t -78.28 1.18 22.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.043 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 62' ' ' SER . 51.2 m-80 39.25 57.08 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.09 83.77 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -40.19 129.29 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 15.1 m-85 -38.96 115.89 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.606 ' OG ' ' CE1' ' A' ' 55' ' ' TYR . 54.2 p -61.84 109.15 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.968 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.476 HD13 ' CA ' ' A' ' 54' ' ' GLY . 38.2 mm -88.17 145.03 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.63 117.16 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 71' ' ' MET . 3.2 tt0 -80.56 140.62 35.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 2.0 ppp? -148.15 -176.65 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 111.006 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.44 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -122.89 149.7 43.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.88 130.56 37.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.376 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 69.8 p -111.53 27.1 9.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.418 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.39 -158.49 23.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.1 -28.55 62.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.767 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.1 p -112.46 141.13 46.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.593 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 2.6 mt-10 -136.07 153.77 51.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.451 ' CG2' HG22 ' A' ' 35' ' ' THR . 12.1 p -148.26 149.82 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -145.06 119.93 9.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.9 m -85.63 94.17 9.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.454 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 55' ' ' TYR . 27.3 mt -72.41 106.73 4.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.85 -176.31 3.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 62.59 65.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.4 mt -130.25 177.01 7.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 170.12 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -99.11 136.94 38.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.5 t80 42.22 55.94 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.57 148.78 47.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -74.78 135.06 41.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -141.97 130.88 23.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.25 132.61 11.2 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 82' ' ' LEU . 24.3 t -126.72 154.22 36.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 0.734 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.44 120.12 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.558 HG12 ' CZ3' ' A' ' 36' ' ' TRP . 17.9 t -98.62 146.04 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -150.37 143.1 24.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.689 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.19 117.75 29.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -114.93 133.81 55.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.22 170.59 10.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -25.88 64.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.401 ' HB3' ' N ' ' A' ' 14' ' ' ALA . . . -73.18 -23.17 60.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.43 -172.64 29.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.2 m -108.58 148.69 29.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -101.84 -176.29 28.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.431 1.082 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 154.63 42.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.418 1.746 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.71 166.36 13.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.2 p -83.35 161.66 21.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.1 119.01 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -41.19 122.69 1.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -110.77 -172.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -151.05 173.45 14.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -179.03 77.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.9 m -47.78 112.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.0 p -48.21 148.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 35.4 mt -40.77 145.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 116' ' ' GLU . 12.3 tt0 -77.95 -0.74 28.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.0 m 61.82 93.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.033 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.28 -162.42 27.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 106.69 2.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.552 1.817 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.7 p -141.89 -61.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.88 -61.71 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.991 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.33 119.44 4.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -173.1 157.17 3.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.03 92.69 0.73 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -170.19 156.74 5.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.13 -59.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.986 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.83 -126.29 9.84 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.8 mm -93.33 132.49 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -173.84 111.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 m -84.71 -141.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.451 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 12' ' ' GLU . 5.6 mt-10 -94.99 30.16 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 11' ' ' GLU . 1.7 tt0 54.31 168.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.95 143.01 38.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.404 ' N ' ' HB3' ' A' ' 101' ' ' ALA . . . -47.0 151.8 1.08 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 123.08 7.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -93.64 46.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 174.41 141.51 3.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.16 21.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.51 1.795 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 18.1 Cg_endo -75.07 159.62 40.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.773 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' LYS . 6.0 mtp -99.85 174.58 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.2 t0 53.33 32.82 14.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 19' ' ' PRO . 33.9 t -74.38 106.89 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 t -153.33 154.64 34.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.542 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 18.9 mt -107.14 161.47 14.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.15 118.33 1.71 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.241 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -109.26 -34.73 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.506 ' OG1' ' CB ' ' A' ' 31' ' ' SER . 27.3 p -117.58 -164.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.0 m -90.56 -42.88 10.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -119.61 44.28 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.506 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.6 OUTLIER -164.12 148.34 9.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.954 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.459 ' CD1' HG23 ' A' ' 114' ' ' THR . 93.3 mt -134.63 155.84 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -104.96 125.59 51.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.542 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 85.6 t -110.43 111.62 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.466 ' CG2' HG21 ' A' ' 79' ' ' VAL . 1.4 p -114.44 142.47 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.506 ' CZ3' HG13 ' A' ' 95' ' ' VAL . 13.6 p90 -153.68 178.36 9.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' MET . 2.5 mtpt -132.84 163.29 29.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.67 136.49 1.97 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.06 103.48 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER 45.66 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -117.4 -49.25 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -91.46 33.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' GLN . 14.0 mt -130.33 -44.96 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' LEU . 47.0 mt-30 -36.75 -38.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 56.75 52.64 9.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.54 169.65 24.63 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.445 1.091 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.25 168.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.517 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 7.4 mm -117.04 142.9 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.57 -31.22 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.578 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 175.81 -179.99 46.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.653 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 18.6 m-85 -137.31 161.04 37.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -111.12 158.26 19.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.489 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 4.6 mp -139.57 101.98 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.8 115.41 5.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.501 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 34.9 p90 -126.94 146.26 50.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.736 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.574 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.97 132.29 9.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 3.5 tt0 -40.34 124.71 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -87.2 46.67 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.4 ' OG ' ' OE2' ' A' ' 57' ' ' GLU . 2.1 m -92.27 158.6 38.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.05 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 99.88 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.45 51.2 2.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.5 m -89.4 172.3 9.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.738 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.63 -53.53 37.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.36 -56.39 0.5 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.2 mp0 -46.36 119.6 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.574 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 15.2 m-85 -81.36 126.33 31.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.501 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 16.9 m -72.46 107.29 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.3 mm -84.47 147.26 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -142.99 112.65 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -82.07 135.57 35.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.262 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.55 ' HB3' ' CE1' ' A' ' 80' ' ' TYR . 8.2 ptm -144.53 151.5 39.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.37 160.57 32.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.15 129.23 40.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.9 p -103.08 39.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.85 -155.43 17.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.89 -42.16 97.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.8 p -97.46 131.75 43.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 12.3 mp0 -135.61 145.42 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.466 HG21 ' CG2' ' A' ' 35' ' ' THR . 11.8 p -142.42 149.61 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 71' ' ' MET . 25.9 t80 -139.36 129.69 25.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.5 m -85.29 100.62 11.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.473 ' CD1' HG22 ' A' ' 53' ' ' ILE . 28.6 mt -81.27 108.33 14.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.48 -174.37 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 61.7 54.87 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.5 mt -113.98 -179.02 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 155.09 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -79.98 134.7 36.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.1 t80 39.99 66.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.79 142.11 25.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -74.69 140.78 44.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 6.4 m-85 -141.31 123.75 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.19 116.8 5.56 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.483 ' HB ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -127.01 162.07 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.474 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 31.6 m -126.68 178.71 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.506 HG13 ' CZ3' ' A' ' 36' ' ' TRP . 17.1 t -147.71 141.19 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -151.45 147.85 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.653 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.41 136.75 32.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 3.5 p90 -129.49 131.12 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -124.29 178.37 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -65.25 -16.27 63.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.404 ' HB3' ' N ' ' A' ' 14' ' ' ALA . . . -82.29 -26.04 33.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.239 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.98 -164.14 29.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 15.8 m -114.05 156.34 24.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -104.08 179.27 24.94 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 156.58 43.22 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.9 p -75.46 173.14 11.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 p -108.31 161.54 14.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.96 116.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -50.63 128.15 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.5 pt -111.18 -178.78 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -152.43 159.44 43.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -171.99 96.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.1 m -66.63 114.29 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.459 HG23 ' CD1' ' A' ' 32' ' ' ILE . 26.4 p -46.94 155.74 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -48.71 175.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 116' ' ' GLU . 17.8 tt0 -97.43 -2.58 41.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.3 t 63.51 123.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -149.23 -175.91 22.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 96.09 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.35 90.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.0 m -84.42 116.12 22.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -107.21 92.75 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 110.054 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.3 p -148.56 134.97 19.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.04 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.19 163.64 35.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.79 163.39 5.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -149.53 155.12 39.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.48 71.72 0.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.7 mt 64.93 113.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.29 90.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.65 111.53 10.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 68.76 126.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -134.66 179.06 6.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.48 145.23 40.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.1 163.51 1.2 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.439 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.4 Cg_endo -74.99 149.12 36.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -118.94 44.42 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.1 146.15 5.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.4 14.57 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 165.99 30.1 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.8 mtp -103.46 178.53 4.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t70 47.92 31.97 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.1 t -77.24 108.32 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.1 t -148.83 159.19 44.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.539 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 71.3 mt -110.6 165.44 11.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -166.64 118.42 0.78 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.478 ' HB2' ' CD1' ' A' ' 115' ' ' LEU . 18.2 Cg_endo -75.05 109.95 3.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.797 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 m -97.59 -33.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.484 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -130.51 172.53 11.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.422 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -80.5 -12.89 59.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -134.34 39.64 3.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.428 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.0 OUTLIER -171.17 168.52 6.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.016 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CD1' HG22 ' A' ' 114' ' ' THR . 41.8 mt -153.74 140.94 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' N ' HG23 ' A' ' 32' ' ' ILE . 8.5 tt0 -91.83 132.38 36.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.539 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 94.4 t -124.18 114.36 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.471 HG23 ' CG2' ' A' ' 79' ' ' VAL . 1.9 p -116.16 143.61 45.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.414 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 22.5 p90 -155.59 161.78 40.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -114.69 173.72 6.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -57.23 138.37 80.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 97.74 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.515 1.797 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 44.61 -167.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -116.79 -45.85 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.35 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.99 -20.57 57.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.2 mt -82.14 -30.14 31.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -42.4 -37.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 45.43 44.61 9.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.1 157.97 23.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.0 t -48.85 157.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.566 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.2 mm -107.28 150.35 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -100.26 -33.68 10.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 175.9 176.42 44.1 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.662 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 6.8 m-85 -131.9 144.98 51.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -93.66 125.05 38.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.498 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 4.6 mp -105.71 95.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -88.96 127.06 8.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.405 ' CB ' HG21 ' A' ' 93' ' ' VAL . 52.9 p90 -141.16 139.35 33.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.3 OUTLIER -156.49 155.22 31.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.571 ' HA ' ' CE1' ' A' ' 91' ' ' TYR . 1.3 tt0 -56.28 129.44 40.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -94.22 42.51 1.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.17 164.65 59.69 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 90.78 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.441 1.758 . . . . 0.0 111.059 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.49 46.95 3.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.99 155.49 27.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -137.98 72.98 1.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -143.61 99.02 0.22 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.518 1.137 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -38.53 123.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.565 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 11.2 m-85 -38.89 115.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -64.39 105.62 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 30.7 mm -85.45 152.4 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -144.51 116.85 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.58 140.1 35.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.438 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -148.32 -176.26 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -120.82 148.43 44.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.0 111.43 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.7 p -67.9 -38.92 83.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.41 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.43 -140.63 3.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -20.23 61.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 80.9 p -129.16 143.62 50.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 12.5 mp0 -134.6 153.13 52.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.471 ' CG2' HG23 ' A' ' 35' ' ' THR . 9.4 p -143.48 150.8 17.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.598 ' CE1' HD12 ' A' ' 82' ' ' LEU . 5.1 t80 -146.52 143.74 29.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.3 m -116.09 102.32 9.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 80' ' ' TYR . 2.9 mm? -75.01 106.51 6.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.448 ' OD1' ' ND2' ' A' ' 84' ' ' ASN . 0.3 OUTLIER -89.78 172.52 8.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.448 ' ND2' ' OD1' ' A' ' 83' ' ' ASP . 61.5 m-20 67.23 60.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 52.6 mt -120.41 145.85 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -57.8 -179.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 88' ' ' PHE . 36.6 mtpt -104.21 141.09 36.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 116' ' ' GLU . 9.4 t80 35.02 40.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.28 141.46 47.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -74.59 128.89 36.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.571 ' CE1' ' HA ' ' A' ' 57' ' ' GLU . 14.8 m-85 -131.67 145.02 51.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -120.95 110.09 1.65 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.405 HG21 ' CB ' ' A' ' 55' ' ' TYR . 85.4 t -101.84 155.79 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.774 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 m -137.09 143.51 34.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 14.7 t -122.2 145.15 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -153.11 144.88 23.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.662 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.2 122.14 33.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 2.2 p90 -123.06 129.95 52.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -124.23 172.71 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -25.87 64.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.18 -24.69 63.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.32 -169.88 28.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.439 HG21 ' CB ' ' A' ' 98' ' ' PHE . 6.9 m -112.3 155.97 23.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 110.435 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.38 -174.1 17.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.539 1.15 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.51 42.77 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.469 1.773 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -99.61 172.98 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.96 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.06 160.21 21.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -57.61 115.43 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 108' ' ' SER . 24.8 tt0 -38.16 122.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -95.21 -166.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -151.52 146.32 25.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -169.09 90.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 114' ' ' THR . 54.7 m -69.05 108.47 3.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.473 HG22 ' CD1' ' A' ' 32' ' ' ILE . 74.8 p -38.95 158.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.435 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.4 OUTLIER -45.09 168.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.571 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . 17.3 tt0 -93.52 -2.15 54.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.34 120.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 178.55 -139.96 4.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 123.76 8.13 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.2 99.22 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.31 -59.56 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.461 1.1 . . . . 0.0 110.976 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m 60.46 149.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 110.017 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m 60.77 169.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.89 177.41 14.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.28 151.18 50.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 m -158.14 123.51 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.57 98.23 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 mt 66.48 112.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.56 116.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -89.35 -142.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.95 40.51 2.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.61 170.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.36 145.77 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.414 ' N ' ' HB3' ' A' ' 101' ' ' ALA . . . -49.14 153.05 1.73 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.16 42.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -123.95 55.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.85 143.72 3.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.96 17.29 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.774 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.6 mmm -109.72 176.03 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' THR . 35.0 t70 51.73 25.45 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.8 t -68.5 108.0 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -152.48 157.08 40.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.555 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 33.6 mt -107.87 166.69 10.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -166.86 117.3 0.74 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 109.84 3.01 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -93.97 -33.75 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.421 ' OG1' ' OG ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -131.7 -176.79 4.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -59.54 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.402 ' NE2' ' HE2' ' A' ' 87' ' ' LYS . 2.1 mt-30 -106.74 54.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.421 ' OG ' ' OG1' ' A' ' 28' ' ' THR . 0.0 OUTLIER -174.17 131.0 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.961 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 33' ' ' GLN . 96.5 mt -122.24 154.32 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.412 ' N ' HG23 ' A' ' 32' ' ' ILE . 53.3 tt0 -109.45 129.59 55.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.555 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 48.9 t -116.06 113.32 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.438 HG21 ' CG2' ' A' ' 79' ' ' VAL . 1.2 p -113.03 137.76 50.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 22.7 p90 -151.32 161.34 42.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -116.33 156.64 26.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.5 143.94 0.81 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.03 172.05 17.12 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.449 1.763 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -38.09 131.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -61.07 -54.61 42.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -61.19 -14.33 24.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.8 mt -113.71 48.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -113.84 -40.32 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 55.97 41.35 29.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.77 -176.45 19.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 48' ' ' ILE . 77.7 t -70.62 159.56 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.518 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 4.5 mm -105.73 141.67 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 49' ' ' ARG . 5.6 mmm180 -88.51 -44.83 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.425 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . -172.97 172.67 45.25 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.14 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.668 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 7.0 m-85 -129.77 136.42 49.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -85.93 133.83 33.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 53' ' ' ILE . 4.2 mp -112.35 96.4 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.435 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -92.07 108.3 3.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.467 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 28.1 p90 -121.97 143.11 49.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.582 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -156.64 143.29 18.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.525 ' HA ' ' CD1' ' A' ' 91' ' ' TYR . 1.5 tt0 -47.4 129.74 13.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.4 ' CG ' ' OE1' ' A' ' 90' ' ' GLN . 18.9 t-20 -90.31 41.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.15 161.95 73.3 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.053 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 106.83 2.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.85 48.26 17.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.96 151.44 25.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.961 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -129.98 71.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -140.71 96.39 0.21 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' GLY . 9.8 pt20 -38.54 133.56 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 11.8 m-85 -46.4 114.81 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.451 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 66.0 m -64.49 104.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.435 HD13 ' CA ' ' A' ' 54' ' ' GLY . 39.3 mm -85.36 147.76 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.05 117.47 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -80.34 138.47 36.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 3.0 ppp? -145.22 -175.88 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.405 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -123.93 150.45 44.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.51 119.71 21.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.5 p -95.96 27.36 3.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.8 -146.15 16.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -81.13 -29.13 34.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 109.36 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.5 p -110.11 138.29 46.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.475 ' OE1' ' CE1' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -137.02 146.68 45.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.347 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.438 ' CG2' HG21 ' A' ' 35' ' ' THR . 11.1 p -142.1 151.36 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.586 ' CE1' HD13 ' A' ' 82' ' ' LEU . 3.4 t80 -142.82 135.8 28.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.3 m -106.14 101.26 10.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.586 HD13 ' CE1' ' A' ' 80' ' ' TYR . 2.6 mm? -78.44 106.66 10.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.05 -177.47 4.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 61.52 48.52 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.073 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.5 mt -107.98 167.45 9.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -76.91 179.11 6.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HE2' ' NE2' ' A' ' 30' ' ' GLN . 7.1 mttm -101.04 130.51 47.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.522 ' CG ' ' HB2' ' A' ' 116' ' ' GLU . 7.4 t80 37.58 63.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 111.042 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.52 145.97 43.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.4 ' OE1' ' CG ' ' A' ' 58' ' ' ASN . 17.6 tt0 -74.39 133.25 42.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.525 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 4.3 m-85 -135.1 134.06 39.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.35 125.28 6.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -126.03 161.3 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 109.357 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 6.2 m -137.9 125.23 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.0 t -97.48 146.13 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -146.9 145.74 29.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.668 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.53 121.59 33.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 1.0 OUTLIER -125.34 131.47 53.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 102' ' ' GLY . 21.2 p30 -124.17 177.25 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -62.6 -19.54 63.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.414 ' HB3' ' N ' ' A' ' 14' ' ' ALA . . . -78.61 -25.59 45.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 151.03 -159.59 28.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.4 m -124.75 147.33 48.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 0.0 110.372 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.1 -169.57 26.05 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.91 42.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.5 1.789 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -91.01 166.93 12.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.2 p -87.64 157.1 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.12 162.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -87.75 124.06 33.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -108.91 -172.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -150.98 158.09 43.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.414 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -169.32 89.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.4 m -59.0 131.71 51.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.427 ' HG1' ' N ' ' A' ' 88' ' ' PHE . 2.8 p -61.59 176.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 31.9 mt -84.97 142.47 29.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 116' ' ' GLU . 14.0 tt0 -91.88 -0.66 57.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.1 m 60.73 109.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -170.38 -156.37 11.2 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 132.57 15.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.5 m -110.32 103.73 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.0 t -145.65 131.43 19.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.61 99.96 3.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 0.745 . . . . 0.0 109.96 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t 74.95 -58.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.55 -84.04 1.4 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -93.25 134.16 35.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -145.09 -60.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.959 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.04 74.25 0.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.9 mt -96.59 72.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.45 107.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 m -90.7 -143.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' A' ' 11' ' ' GLU . 4.5 pt-20 -176.16 124.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.29 -177.91 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.99 143.78 24.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.6 146.42 7.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 129.58 12.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.35 32.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -171.27 146.71 9.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.81 13.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.48 26.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.29 170.8 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 t0 48.27 44.23 19.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.1 t -82.07 106.23 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.222 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 t -150.7 162.66 40.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.541 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 30.1 mt -117.01 157.98 24.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -161.04 117.77 1.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 121.15 6.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -100.28 -34.12 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 64.5 p -117.78 -146.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.448 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.8 m -112.82 -24.47 9.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -128.39 38.38 3.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 t -163.5 166.9 22.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.5 mt -148.73 156.91 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -107.87 115.09 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.541 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 52.9 t -102.09 107.6 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.456 ' CG2' HG22 ' A' ' 79' ' ' VAL . 1.1 p -110.04 137.16 48.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.488 ' CD2' HG13 ' A' ' 95' ' ' VAL . 25.8 p90 -151.91 160.71 43.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 107.97 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -117.57 155.71 29.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.18 139.86 0.99 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.96 176.14 10.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.784 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -38.58 142.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -73.4 -56.4 5.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.01 -14.3 15.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 45' ' ' ASN . 87.5 mt -101.9 -34.63 9.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' LYS . 3.6 mt-30 -37.73 -32.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . 56.0 m-20 49.56 48.53 21.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.03 176.77 34.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.9 p -58.03 169.15 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 109.36 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.548 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.7 mm -119.63 131.05 73.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -78.34 -27.39 47.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 173.61 -177.27 46.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.673 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 14.4 m-85 -135.46 163.26 30.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 0.736 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.458 ' NE2' ' CG2' ' A' ' 68' ' ' ILE . 34.8 mt-30 -114.22 145.67 41.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.5 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 4.4 mp -127.36 97.19 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.73 113.61 4.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.489 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 22.8 p90 -127.18 145.65 50.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 0.712 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.567 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 1.3 ptt180 -157.08 135.27 11.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.508 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 2.5 tt0 -47.51 124.96 7.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -88.5 45.62 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.79 168.11 8.55 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 81.81 2.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.65 44.47 0.24 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 p -40.6 158.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -55.62 -39.4 70.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.07 -111.2 0.41 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -90.17 176.29 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 110.32 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.567 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 8.1 m-85 -77.38 123.59 26.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.0 m -68.8 104.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.458 ' CG2' ' NE2' ' A' ' 52' ' ' GLN . 20.6 mm -84.4 123.88 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -124.58 112.82 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.54 137.18 32.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 1.6 ppp? -135.78 -177.03 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' O ' ' SD ' ' A' ' 71' ' ' MET . 2.4 mttm -97.03 155.65 16.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.38 101.79 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.3 p -50.19 -44.43 52.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.411 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.79 -126.81 1.06 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.78 -43.72 75.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.9 p -108.77 146.05 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.975 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.445 ' OE1' ' NE1' ' A' ' 36' ' ' TRP . 3.2 mp0 -138.49 147.85 43.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.456 HG22 ' CG2' ' A' ' 35' ' ' THR . 11.0 p -143.08 150.59 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -145.54 138.93 26.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.8 m -102.51 99.98 10.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 53' ' ' ILE . 14.4 mt -77.62 106.37 9.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.28 -175.51 3.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 62.59 58.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.5 mt -116.8 -174.47 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.64 173.96 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -98.39 107.81 20.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.446 ' HB2' ' HA ' ' A' ' 116' ' ' GLU . 8.6 t80 58.69 72.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.02 150.0 33.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -74.6 130.42 39.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.508 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 2.1 m-85 -131.62 131.21 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -114.6 108.58 2.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.489 ' HB ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -117.5 156.23 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.5 m -125.79 152.48 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.488 HG13 ' CD2' ' A' ' 36' ' ' TRP . 23.0 t -122.3 139.75 48.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -148.28 144.99 27.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.673 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.23 132.38 36.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 1.8 p90 -127.38 133.65 50.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 102' ' ' GLY . 16.5 p30 -124.11 178.5 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -66.37 -15.75 63.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.68 -25.7 32.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 150.29 -172.71 30.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 111.06 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.7 m -109.75 157.82 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.18 -176.08 26.46 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.6 41.87 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.804 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.96 152.1 38.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.0 p -81.45 169.43 17.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.13 118.3 6.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.84 124.52 20.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.29 -163.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.6 p30 -148.76 152.72 37.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -166.12 98.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.3 m -70.81 123.63 22.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 30.0 p -61.78 152.51 31.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.367 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 119' ' ' PRO . 19.3 mt -51.95 146.14 8.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 116' ' ' GLU . 10.6 tt0 -88.81 2.65 53.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 118' ' ' GLY . 0.2 OUTLIER -173.52 103.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 117' ' ' SER . . . 36.31 -150.34 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.471 ' HA ' ' CD1' ' A' ' 115' ' ' LEU . 18.4 Cg_endo -75.0 -55.41 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.809 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.48 -55.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.01 -57.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.13 -58.4 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 0.799 . . . . 0.0 110.021 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 t 63.08 163.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.08 -95.42 0.11 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.55 1.157 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 p -135.85 -58.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -158.02 82.91 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.024 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.2 -122.74 1.22 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.0 mt 64.74 137.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 t -125.92 -137.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 m -82.01 -141.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -120.23 92.51 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.25 171.97 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -145.56 143.9 30.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.403 ' N ' ' HB2' ' A' ' 101' ' ' ALA . . . -43.96 157.06 0.29 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.404 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.1 Cg_endo -74.99 144.51 30.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.504 1.791 . . . . 0.0 110.967 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -114.86 37.95 3.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.96 139.96 5.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.81 13.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.3 mtp -108.9 173.14 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 49.83 40.86 21.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.2 t -81.05 106.38 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -150.85 154.88 38.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.434 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.47 HD12 ' CG1' ' A' ' 93' ' ' VAL . 70.1 mt -105.69 165.82 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -164.52 118.47 1.0 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 114.52 4.04 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.458 1.768 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.2 m -93.71 -37.82 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.2 p -126.25 -144.78 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.384 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.64 -23.72 10.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -126.25 38.19 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.6 t -168.9 156.53 7.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.455 HG13 ' CD1' ' A' ' 85' ' ' LEU . 63.0 mt -142.5 148.69 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -98.02 117.94 33.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.426 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 77.6 t -107.08 105.05 18.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 p -109.8 139.1 45.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.364 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.438 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 36.2 p90 -148.87 159.16 44.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 107.986 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 14.9 mttt -113.65 153.35 29.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.93 142.89 0.64 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -74.97 174.77 12.21 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.816 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 39' ' ' PRO . 1.0 OUTLIER -39.56 148.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -77.59 -45.84 24.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.67 -11.17 60.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 mt -105.01 -13.87 15.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.35 -45.97 65.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 54.14 47.85 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.92 159.31 29.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.7 p -48.75 170.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.547 HG23 ' CE1' ' A' ' 51' ' ' TYR . 4.1 mm -116.33 137.78 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -87.15 -31.94 20.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.422 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 177.94 174.42 44.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 97' ' ' ALA . 5.7 m-85 -129.81 143.23 50.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -93.5 130.24 39.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.473 HG21 ' CD2' ' A' ' 82' ' ' LEU . 4.8 mp -114.87 96.46 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.414 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -93.14 115.58 4.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.543 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 21.1 p90 -126.94 143.69 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -156.62 136.11 12.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -43.23 131.34 4.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -89.46 44.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.58 158.38 73.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.01 2.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.781 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.45 45.33 6.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.48 143.33 29.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.759 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -132.22 74.03 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -143.72 99.39 0.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -38.35 124.66 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 15.9 m-85 -41.16 121.79 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.543 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 50.3 m -70.07 106.73 3.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.414 HD13 ' CA ' ' A' ' 54' ' ' GLY . 41.2 mm -86.58 135.65 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.14 118.79 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -80.64 139.45 36.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.441 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 4.2 ppp? -147.32 178.9 8.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.441 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -121.03 146.98 46.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.03 115.61 22.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.9 p -72.36 -40.15 67.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 110.441 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.23 -128.37 1.04 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.75 -39.58 19.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.786 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 p -109.78 144.98 37.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 19.7 mm-40 -134.4 162.48 32.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.4 p -149.85 152.3 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -146.34 123.3 11.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -88.2 93.7 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.473 ' CD2' HG21 ' A' ' 53' ' ' ILE . 15.8 mt -75.42 105.95 6.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.98 179.04 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 63.88 68.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.455 ' CD1' HG13 ' A' ' 32' ' ' ILE . 10.1 mt -134.59 133.25 40.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 145.26 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -78.27 140.92 38.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CE1' ' OE2' ' A' ' 116' ' ' GLU . 8.2 t80 44.32 62.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.03 141.67 23.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -74.85 125.06 28.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -120.67 124.13 44.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.15 119.55 6.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.48 ' HB ' ' CB ' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -131.11 159.91 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.434 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 35.9 m -127.29 171.37 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.2 139.02 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -148.32 144.59 27.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.576 ' HB3' ' CE2' ' A' ' 51' ' ' TYR . . . -91.1 117.72 29.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 2.4 p90 -113.16 131.46 55.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -124.31 178.19 5.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -20.54 66.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.403 ' HB2' ' N ' ' A' ' 14' ' ' ALA . . . -78.69 -16.44 57.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.18 -162.48 27.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.7 m -120.28 148.8 43.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 110.446 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -101.91 -178.54 27.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 155.66 43.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.15 177.34 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.02 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.3 p -102.39 165.62 11.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.73 121.99 2.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -52.3 117.88 3.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 4.2 pt -105.08 -177.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -152.87 173.81 14.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -179.3 101.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.5 m -66.54 114.17 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.439 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.5 p -49.39 157.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 60.6 mt -53.41 169.04 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.564 ' OE2' ' CE1' ' A' ' 88' ' ' PHE . 2.4 mm-40 -77.48 0.79 21.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.3 t 64.68 138.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 139.55 157.25 7.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 112.85 3.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.3 t -176.77 152.52 0.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.0 m -139.03 105.76 5.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.0 p -153.12 156.53 38.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -179.62 152.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.16 162.38 13.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.76 162.13 27.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 p -132.19 160.93 34.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.57 174.67 13.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -92.79 137.76 21.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -101.39 68.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.4 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 9.0 m -95.05 -137.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 9.6 pm0 -167.54 123.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -118.93 168.41 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.13 143.36 49.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.29 151.36 0.97 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 18.2 Cg_endo -75.03 108.89 2.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -84.62 50.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.89 138.48 3.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 168.99 23.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 155.35 43.26 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 41.9 mtp -101.59 177.22 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 35' ' ' THR . 13.1 t0 54.31 27.02 7.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.466 ' CG1' HD13 ' A' ' 110' ' ' ILE . 21.9 t -75.96 111.01 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -153.07 149.31 27.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.388 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.478 ' HG ' ' CD1' ' A' ' 110' ' ' ILE . 68.4 mt -100.44 164.69 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -167.06 118.84 0.75 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.29 6.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 m -111.37 -35.48 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.446 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 7.9 p -117.57 -170.41 1.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.1 m -90.58 -21.42 21.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -136.53 47.45 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.16 166.71 12.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 33' ' ' GLN . 53.6 mt -151.05 142.2 16.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.415 ' N ' HG22 ' A' ' 32' ' ' ILE . 64.7 tt0 -93.08 123.11 36.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.511 ' O ' ' CG2' ' A' ' 79' ' ' VAL . 50.4 t -111.78 128.15 68.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.471 ' CG2' HG22 ' A' ' 79' ' ' VAL . 1.1 p -129.33 145.98 51.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.517 ' CD2' HG11 ' A' ' 95' ' ' VAL . 15.1 p90 -159.3 165.89 32.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 107.978 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.7 177.5 5.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.56 136.13 53.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 100.27 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.801 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? 46.48 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.31 -49.38 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -76.42 -4.33 41.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.8 mt -98.43 -32.41 11.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -42.79 -39.86 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 44.97 45.32 8.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.79 165.27 21.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 m -51.83 175.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.345 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.489 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.8 mm -124.93 144.93 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -94.69 -22.02 18.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.455 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 161.9 -176.82 38.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.693 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 8.4 m-85 -136.46 156.63 48.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.403 ' NE2' HG22 ' A' ' 68' ' ' ILE . 26.3 mt-30 -103.43 130.71 50.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.49 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 4.5 mp -111.39 100.75 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -102.29 136.34 12.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.563 ' CD1' HD22 ' A' ' 82' ' ' LEU . 4.0 p90 -152.85 145.56 24.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.576 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.51 158.51 37.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.06 145.9 34.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.11 31.38 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.5 147.89 91.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -4.3 15.2 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.448 1.762 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.14 40.71 0.93 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.82 149.55 25.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 0.744 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -144.36 63.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -138.03 96.61 0.23 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 64' ' ' GLY . 78.0 mt-30 -37.49 127.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.576 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 10.3 m-85 -38.96 115.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.9 m -62.15 109.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.968 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.403 HG22 ' NE2' ' A' ' 52' ' ' GLN . 32.1 mm -88.02 138.36 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -128.35 116.49 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 71' ' ' MET . 1.6 tt0 -80.94 138.67 36.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.244 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.42 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 1.5 ppp? -147.1 -178.2 6.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -115.19 156.92 24.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.78 113.62 25.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 38.8 p -85.88 1.94 47.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 159.3 -147.16 14.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.68 -38.37 29.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 83.5 p -104.69 123.72 48.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.582 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 2.2 mp0 -117.98 157.69 26.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 34' ' ' VAL . 7.2 p -150.76 147.17 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.471 ' N ' HG21 ' A' ' 79' ' ' VAL . 3.8 t80 -144.65 124.88 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 m -86.21 95.88 9.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.563 HD22 ' CD1' ' A' ' 55' ' ' TYR . 16.2 mt -75.38 106.37 6.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.93 178.13 5.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 70.48 60.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.8 mt -123.43 175.01 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.25 177.32 6.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 88' ' ' PHE . 10.4 mtmt -99.67 137.78 37.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 87' ' ' LYS . 7.7 t80 35.78 57.59 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.52 148.56 50.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -74.95 128.51 35.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -133.74 123.24 24.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.36 129.87 10.05 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.31 142.37 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.7 m -128.5 126.04 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.517 HG11 ' CD2' ' A' ' 36' ' ' TRP . 19.1 t -106.41 143.35 17.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -151.21 145.23 25.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.693 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.72 137.05 32.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 1.7 p90 -134.78 130.65 36.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.415 ' ND2' ' HD3' ' A' ' 15' ' ' PRO . 21.9 p30 -124.3 178.25 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -61.83 -23.17 66.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.91 -26.1 60.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 150.38 -162.43 29.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.1 m -115.72 149.54 38.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -99.92 -179.39 30.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 164.58 32.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.0 p -93.28 162.56 13.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 p -93.52 166.87 12.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 110' ' ' ILE . 0.7 OUTLIER -40.61 125.86 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.985 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.71 85.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.478 ' CD1' ' HG ' ' A' ' 24' ' ' LEU . 28.6 pt -70.03 168.3 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.474 ' CA ' HD13 ' A' ' 24' ' ' LEU . 1.4 p-10 -148.06 170.86 16.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -174.44 102.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 83.3 m -68.61 107.49 2.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.7 p -41.45 160.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 110.383 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.446 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER -51.3 176.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 116' ' ' GLU . 4.2 tp10 -92.43 -9.31 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.79 81.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -172.79 -176.6 41.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.22 42.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.1 t -157.55 160.59 38.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.02 129.43 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -162.55 157.57 22.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -174.0 141.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.99 -167.49 11.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t -135.44 145.64 47.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.995 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.38 164.34 20.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.8 175.53 0.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.2 mt -103.86 118.65 51.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.4 p -179.32 114.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 10' ' ' THR . 1.1 m -88.57 12.02 15.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -179.44 127.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -104.41 -176.03 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -154.28 144.69 22.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.423 ' N ' ' HB1' ' A' ' 101' ' ' ALA . . . -44.61 153.39 0.47 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.446 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.1 Cg_endo -75.06 150.95 38.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -120.27 59.43 0.9 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.52 141.97 3.3 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.14 29.85 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.471 1.774 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.56 22.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 45.7 mmm -107.03 176.61 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t70 50.22 26.49 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.36 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.27 107.12 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -152.74 164.88 36.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.503 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 48.1 mt -117.69 162.24 18.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.97 117.74 0.73 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 119.53 5.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.8 m -102.21 -33.37 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.6 p -119.37 -150.99 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.29 -22.27 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -132.01 25.23 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.82 143.7 22.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 33' ' ' GLN . 83.3 mt -126.2 160.39 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.416 ' N ' HG23 ' A' ' 32' ' ' ILE . 48.1 tt0 -108.91 113.61 26.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.503 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 93.1 t -102.47 112.19 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.466 HG23 ' CG2' ' A' ' 79' ' ' VAL . 1.5 p -115.19 142.95 45.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.395 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 31.4 p90 -155.85 164.62 38.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 108.016 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -125.28 153.59 43.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.264 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.21 142.39 0.73 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 168.6 24.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.781 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.59 131.13 2.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -50.95 -47.37 61.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.35 -22.53 66.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.4 mt -106.72 52.59 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -121.71 -47.52 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 60.58 62.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.21 168.0 44.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' A' ' 48' ' ' ILE . 84.2 t -52.29 164.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.574 HG22 ' CE1' ' A' ' 51' ' ' TYR . 4.2 mm -115.1 133.34 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -81.64 -30.25 32.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.417 ' C ' ' CD2' ' A' ' 98' ' ' PHE . . . 172.08 179.26 42.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.609 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 7.0 m-85 -132.13 137.94 47.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -85.0 144.2 28.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.475 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 5.4 mp -126.33 95.22 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.407 ' CA ' HD12 ' A' ' 68' ' ' ILE . . . -92.89 122.66 7.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.494 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 22.4 p90 -131.56 142.23 49.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.568 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.51 146.88 21.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HA ' ' CD2' ' A' ' 91' ' ' TYR . 1.6 tt0 -48.17 130.23 15.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -92.43 44.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.6 p -85.15 155.95 60.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 99.4 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.09 44.7 2.75 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.69 143.84 26.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -133.49 71.07 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -142.57 98.51 0.22 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' GLY . 3.7 mp0 -37.73 128.56 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.568 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 12.7 m-85 -47.27 118.91 2.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.494 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 68.4 m -67.42 105.72 1.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.407 HD12 ' CA ' ' A' ' 54' ' ' GLY . 34.0 mm -83.94 142.43 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -135.2 115.12 17.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -80.35 139.59 36.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -146.27 179.93 7.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -115.72 152.65 32.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.39 121.15 26.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.2 p -97.94 15.13 24.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.48 -159.71 27.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.6 -30.42 68.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.742 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.4 p -109.99 138.01 46.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.598 ' OE2' ' CE1' ' A' ' 51' ' ' TYR . 2.3 mp0 -135.56 157.21 47.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 35' ' ' THR . 10.3 p -150.23 152.71 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -145.11 122.89 11.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.2 m -87.57 93.59 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.491 HD22 ' CD1' ' A' ' 55' ' ' TYR . 31.2 mt -75.51 106.93 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -103.2 -170.62 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 62.19 53.01 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.8 mt -115.74 -169.62 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.51 172.21 7.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -102.59 122.62 44.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.2 t80 57.9 62.2 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.1 143.21 25.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -76.66 140.51 40.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.434 ' CD2' ' HA ' ' A' ' 57' ' ' GLU . 6.4 m-85 -139.71 134.18 31.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -111.63 119.51 5.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.143 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -123.6 156.8 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.8 m -127.69 152.9 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 5.6 t -128.39 144.61 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.403 ' OE1' ' OG ' ' A' ' 106' ' ' SER . 2.1 pt20 -153.41 154.55 34.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.609 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.08 120.08 31.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.607 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.5 OUTLIER -116.55 130.72 56.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 102' ' ' GLY . 22.5 p30 -124.47 178.31 5.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -63.54 -16.55 61.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.423 ' HB1' ' N ' ' A' ' 14' ' ' ALA . . . -82.21 -26.04 33.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 148.48 -167.06 29.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.3 m -114.34 145.31 41.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 110.398 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -91.22 -170.09 42.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.31 41.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.403 ' OG ' ' OE1' ' A' ' 96' ' ' GLN . 1.9 m -79.77 156.03 27.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.53 153.7 21.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.52 120.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.09 125.29 24.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.41 -163.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -150.64 154.46 37.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.06 93.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.9 m -63.28 116.52 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.401 HG22 ' CD1' ' A' ' 32' ' ' ILE . 11.3 p -53.46 145.1 15.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 24.7 mt -40.5 145.38 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.401 ' OE2' ' C ' ' A' ' 117' ' ' SER . 0.2 OUTLIER -74.89 -1.93 24.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.401 ' C ' ' OE2' ' A' ' 116' ' ' GLU . 12.5 t 63.96 119.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 177.79 177.55 46.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.12 40.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.473 1.775 . . . . 0.0 111.02 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.3 m -140.16 113.14 8.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.9 p 171.61 152.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.66 149.94 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.08 149.28 8.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.5 119.04 0.55 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.66 113.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.93 167.96 18.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.39 124.23 0.7 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.3 mt 42.5 76.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.26 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.74 97.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.955 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 t -178.79 146.33 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.443 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.3 OUTLIER 64.82 106.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -117.42 171.15 8.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.73 146.27 50.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -62.8 157.63 58.14 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 150.61 38.59 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.33 29.38 7.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.99 147.69 11.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.29 14.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 168.52 24.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.442 1.759 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.6 mmm -109.75 175.35 5.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t0 51.15 30.02 5.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.9 109.77 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -148.34 155.67 41.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.353 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 HD22 ' CG2' ' A' ' 93' ' ' VAL . 70.9 mt -111.29 161.39 16.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -165.9 117.61 0.84 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.766 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -96.91 -34.22 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.306 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.403 ' OG1' ' OG ' ' A' ' 31' ' ' SER . 31.0 p -125.88 -162.34 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.413 ' HB2' ' CA ' ' A' ' 118' ' ' GLY . 19.4 t -89.51 -35.75 15.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.42 ' C ' ' OG ' ' A' ' 31' ' ' SER . 79.0 mt-30 -124.37 54.37 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.42 ' OG ' ' C ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -176.99 151.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 33' ' ' GLN . 85.9 mt -140.77 150.01 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.423 ' N ' HG22 ' A' ' 32' ' ' ILE . 1.9 tt0 -99.0 118.27 35.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.6 t -107.29 109.17 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.509 ' CG2' ' CG2' ' A' ' 79' ' ' VAL . 0.7 OUTLIER -117.62 128.74 55.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 110.414 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.553 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 30.9 p90 -144.01 160.76 40.29 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -111.47 161.12 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.64 148.86 1.6 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.02 174.1 13.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -38.57 134.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -60.73 -53.72 53.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -58.93 -20.23 50.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.3 mt -110.89 49.36 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -106.29 -31.59 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 81.0 m-20 41.3 59.99 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.5 155.12 19.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 48' ' ' ILE . 55.6 t -43.86 163.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.653 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 4.2 mm -105.13 125.53 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.082 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.474 ' CD ' ' HG3' ' A' ' 100' ' ' ARG . 0.7 OUTLIER -72.69 -46.66 52.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.6 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . -171.58 174.92 45.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.657 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 8.2 m-85 -130.05 164.27 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -119.3 137.86 53.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.492 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 3.9 mp -115.57 102.19 13.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.35 125.99 8.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.536 ' CD1' HD23 ' A' ' 82' ' ' LEU . 17.9 p90 -145.16 147.39 32.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.54 158.46 37.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -61.49 148.94 40.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.264 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -93.25 23.96 4.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.402 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -49.83 155.19 1.56 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.013 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 93.64 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 111.043 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.05 41.02 12.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.44 148.17 45.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -121.05 72.16 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.48 94.32 0.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -40.59 124.54 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 110.319 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 7.8 m-85 -39.38 116.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.8 m -62.52 106.04 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.049 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.7 mm -85.28 137.97 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -140.3 113.02 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.601 ' CD ' ' CZ ' ' A' ' 98' ' ' PHE . 4.3 tt0 -87.95 139.61 30.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 1.7 ppp? -133.37 -177.37 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.419 ' O ' ' SD ' ' A' ' 71' ' ' MET . 2.8 mttm -88.4 147.33 24.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.41 118.1 35.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.1 p -66.17 -47.22 74.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 76' ' ' ASP . . . 112.24 59.42 0.44 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 2.7 m-20 155.91 -44.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.411 ' O ' ' CD ' ' A' ' 78' ' ' GLU . 52.9 p -145.39 152.81 40.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.045 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.553 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 21.3 mm-40 -144.44 151.78 39.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.509 ' CG2' ' CG2' ' A' ' 35' ' ' THR . 10.9 p -154.16 146.48 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.525 ' CD1' HD22 ' A' ' 82' ' ' LEU . 13.6 t80 -147.01 123.17 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 m -89.23 96.79 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.386 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.536 HD23 ' CD1' ' A' ' 55' ' ' TYR . 32.4 mt -74.88 123.28 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 5.7 p30 -122.54 167.69 13.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 5.7 m120 84.57 44.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.595 ' CD1' ' N ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -99.63 -163.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.19 -175.03 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -108.98 112.58 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CE1' ' HG2' ' A' ' 116' ' ' GLU . 7.7 t80 57.19 63.07 1.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.2 155.65 43.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -75.53 140.86 43.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 2.9 m-85 -139.03 134.58 33.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.71 123.08 4.77 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.468 ' CG2' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -120.41 164.21 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.4 m -140.34 120.94 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 36' ' ' TRP . 15.1 t -96.37 147.43 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -151.94 144.17 23.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.246 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.657 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.5 135.53 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.601 ' CZ ' ' CD ' ' A' ' 70' ' ' GLU . 1.0 OUTLIER -133.04 138.24 46.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.958 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 99' ' ' ASN . 0.5 OUTLIER -124.39 178.02 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.474 ' HG3' ' CD ' ' A' ' 49' ' ' ARG . 1.9 mtt-85 -59.35 -22.7 61.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.415 ' HB3' ' N ' ' A' ' 14' ' ' ALA . . . -74.92 -26.01 59.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.98 -153.03 25.03 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.4 m -121.5 156.88 31.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 110.368 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.63 -168.06 19.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 161.43 38.76 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.69 164.94 12.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.5 p -83.99 159.19 21.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.18 121.59 5.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -55.79 125.85 23.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -105.12 -162.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -150.85 153.72 35.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.35 90.08 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 83.6 m -65.51 108.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 54.6 p -45.87 149.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 68.7 mt -46.87 160.3 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.561 ' HG2' ' CE1' ' A' ' 88' ' ' PHE . 8.1 mt-10 -79.98 2.22 24.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 51.6 p -178.07 162.41 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.413 ' CA ' ' HB2' ' A' ' 29' ' ' SER . . . -86.81 140.44 17.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -61.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.1 m 59.74 89.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 61.3 p -116.62 169.75 9.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.942 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.85 157.5 4.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m 60.95 157.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.76 112.14 0.4 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -73.41 153.17 40.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.2 p -94.54 149.97 20.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.35 102.48 1.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.1 mt -63.24 104.79 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.2 p -171.91 84.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.4 m -89.83 16.54 7.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -126.62 95.89 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.64 170.29 10.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.469 ' CA ' ' HB3' ' A' ' 101' ' ' ALA . . . -137.68 147.45 44.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.9 159.81 0.21 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 153.4 41.75 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -124.76 60.56 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 170.77 128.03 0.99 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.07 17.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.07 23.43 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.498 1.788 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.71 177.86 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 t0 47.57 34.14 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.8 t -78.24 106.41 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -147.39 160.5 42.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.521 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 52.5 mt -110.33 163.46 13.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -164.83 118.29 0.97 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 m -101.14 -38.13 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.2 p -120.12 -148.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -109.16 -24.37 11.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -128.6 44.34 2.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.3 t -168.87 165.24 11.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.468 ' CD1' HG23 ' A' ' 114' ' ' THR . 44.9 mt -151.62 146.76 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.413 ' N ' HG21 ' A' ' 32' ' ' ILE . 44.8 tt0 -99.01 117.89 34.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.521 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 44.8 t -106.36 108.5 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.444 ' CG2' ' CG2' ' A' ' 79' ' ' VAL . 1.1 p -110.27 137.47 47.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.453 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.484 ' CZ3' HG11 ' A' ' 95' ' ' VAL . 28.0 p90 -148.31 163.64 36.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt -119.45 170.59 9.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.76 144.03 5.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.26 14.81 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' CB ' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -41.02 137.38 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -69.11 -46.84 66.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -73.16 -2.71 22.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.441 ' HB2' ' CB ' ' A' ' 40' ' ' LYS . 40.7 mt -113.61 42.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -122.78 95.99 4.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -84.09 51.0 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.76 153.56 11.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 p -41.73 160.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 0.766 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.52 HG22 ' CE1' ' A' ' 51' ' ' TYR . 2.8 mm -104.08 150.78 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.67 -25.16 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.442 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 173.07 178.02 42.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.672 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 7.5 m-85 -135.18 132.66 38.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.54 ' CD ' ' CG2' ' A' ' 68' ' ' ILE . 12.2 mm-40 -80.26 157.12 26.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.473 ' CG2' HD13 ' A' ' 82' ' ' LEU . 4.3 mp -134.31 105.16 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.73 134.51 11.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -153.15 145.19 23.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.632 ' CD ' ' CE1' ' A' ' 66' ' ' TYR . 0.5 OUTLIER -156.4 151.07 25.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 5.1 tt0 -55.78 118.24 4.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -89.12 44.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.9 m -118.87 154.78 53.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 59.61 5.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.459 1.768 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.84 45.52 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t -110.09 -167.79 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 0.795 . . . . 0.0 110.032 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -88.66 -46.28 9.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.29 -81.6 0.34 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -38.6 132.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 0.797 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.632 ' CE1' ' CD ' ' A' ' 56' ' ' ARG . 8.9 m-85 -82.14 131.06 35.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.1 m -71.99 108.15 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.54 ' CG2' ' CD ' ' A' ' 52' ' ' GLN . 28.0 mm -91.83 139.13 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.432 ' C ' ' OE1' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -135.36 114.03 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 71' ' ' MET . 2.2 tm-20 -79.92 146.32 32.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 2.8 ppp? -150.36 -176.57 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.408 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -114.52 154.98 27.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.05 105.86 17.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.6 p -80.95 2.25 27.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.38 -166.13 36.39 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -44.96 92.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.0 p -94.18 134.73 36.33 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.421 ' HB2' ' NE1' ' A' ' 36' ' ' TRP . 71.7 mm-40 -132.08 153.57 50.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.444 ' CG2' ' CG2' ' A' ' 35' ' ' THR . 14.5 p -146.67 148.63 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -145.98 122.69 11.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 m -88.95 98.44 11.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.419 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.473 HD13 ' CG2' ' A' ' 53' ' ' ILE . 18.6 mt -74.22 106.63 5.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -99.08 171.09 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.413 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 0.8 OUTLIER 75.86 59.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.0 mt -122.95 -179.37 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.88 167.75 11.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 88' ' ' PHE . 4.3 mttp -82.64 134.73 35.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CE1' HG23 ' A' ' 113' ' ' THR . 7.1 t80 32.75 65.82 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.44 143.52 48.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -73.92 113.16 10.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 9.6 m-85 -120.43 123.94 44.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.58 131.19 10.61 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.948 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 42.3 t -122.81 154.04 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.1 m -143.74 118.76 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.484 HG11 ' CZ3' ' A' ' 36' ' ' TRP . 7.5 t -99.87 148.03 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' GLN . 1.6 pt20 -153.58 143.56 22.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.672 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.09 128.99 37.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 7.3 p90 -125.32 136.37 53.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -124.31 177.44 5.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -57.9 -23.38 52.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.469 ' HB3' ' CA ' ' A' ' 13' ' ' ALA . . . -73.73 -22.45 59.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.09 -157.61 27.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.155 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.8 m -114.37 144.22 43.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 110.417 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.88 177.53 49.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 155.93 42.7 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 p -73.31 153.32 40.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 p -82.93 173.91 11.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.25 114.52 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -48.89 133.57 17.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.238 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -126.07 -174.41 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -152.36 161.53 42.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -171.54 97.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.563 HG23 ' CE1' ' A' ' 88' ' ' PHE . 31.9 m -65.1 114.48 4.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.468 HG23 ' CD1' ' A' ' 32' ' ' ILE . 7.3 p -48.68 177.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 43.8 mt -76.58 143.13 40.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 117' ' ' SER . 0.2 OUTLIER -94.23 -3.58 50.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.457 ' N ' ' OE1' ' A' ' 116' ' ' GLU . 33.2 t -179.83 133.2 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.979 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 64.71 154.35 0.13 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -168.72 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.793 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.35 108.17 19.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.21 103.31 12.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.036 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.51 -54.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 110.028 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m 60.81 117.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.03 -152.64 29.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -127.34 159.6 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 0.724 . . . . 0.0 110.043 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.31 -59.43 1.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.22 121.98 2.94 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 67.5 mt 58.15 107.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 109.361 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.29 86.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 11' ' ' GLU . 6.2 t -176.25 151.02 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 10' ' ' THR . 4.0 pt-20 33.71 67.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -92.95 153.67 18.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.17 142.52 50.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.44 152.94 2.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 138.01 22.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -109.68 49.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' A' ' 18' ' ' PRO . . . 171.41 143.39 4.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 111.047 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -74.97 174.19 13.2 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.75 21.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.474 ' HE1' ' CE ' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -110.34 162.78 14.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.977 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 59.5 46.31 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 t -86.18 105.7 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -149.9 152.03 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 110.366 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.518 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -107.62 154.49 21.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.28 115.46 3.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 110.94 3.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 m -95.48 -33.39 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.0 p -120.69 -150.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.435 ' CB ' ' HD3' ' A' ' 87' ' ' LYS . 1.7 m -114.08 -13.94 12.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.038 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -135.66 35.2 2.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -162.25 163.87 27.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.955 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 33' ' ' GLN . 50.2 mt -148.85 139.71 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.415 ' N ' HG21 ' A' ' 32' ' ' ILE . 27.3 tt0 -92.8 113.04 25.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.455 ' CG2' HD13 ' A' ' 24' ' ' LEU . 92.1 t -102.39 109.93 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.483 ' CG2' ' CG2' ' A' ' 79' ' ' VAL . 1.4 p -112.33 141.31 46.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 29.8 p90 -155.61 164.64 38.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 107.987 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -122.42 167.3 13.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.17 145.48 2.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -74.99 -175.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.474 ' CE ' ' HE1' ' A' ' 20' ' ' MET . 0.1 OUTLIER -39.26 139.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' HA ' ' NE2' ' A' ' 44' ' ' GLN . 7.3 tptt -65.83 -51.92 54.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -88.46 46.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 44' ' ' GLN . 15.9 mt -147.05 -44.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 43' ' ' LEU . 4.1 mt-30 -33.06 -45.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 60.14 56.75 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.49 -177.09 23.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.1 p -67.76 171.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.605 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 6.7 mm -121.33 130.26 74.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -36.12 33.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.436 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 176.7 174.31 43.05 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.688 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 6.0 m-85 -128.64 145.14 51.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -95.07 132.89 39.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.499 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 4.0 mp -112.89 96.36 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.5 127.88 9.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.494 ' CD1' HD22 ' A' ' 82' ' ' LEU . 41.0 p90 -144.63 145.89 32.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -156.07 152.8 28.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -71.62 148.24 46.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -99.71 34.21 2.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.8 p -114.05 156.25 44.31 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 82.25 2.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.69 44.71 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 t -88.4 175.36 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -41.33 -50.16 3.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.59 -80.34 0.23 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.27 144.69 31.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 0.746 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 12.8 m-85 -39.24 115.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.9 m -63.84 107.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.2 mm -85.66 151.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -143.19 116.86 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 71' ' ' MET . 4.4 tt0 -80.71 139.78 35.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.425 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -147.19 178.81 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.425 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -121.07 147.53 45.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.02 118.51 20.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.5 p -99.04 24.57 7.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.401 ' O ' ' OE2' ' A' ' 78' ' ' GLU . . . 141.22 -150.54 21.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.76 -45.96 23.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.6 p -97.6 144.03 27.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 75' ' ' GLY . 23.7 mm-40 -136.06 158.86 43.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.483 ' CG2' ' CG2' ' A' ' 35' ' ' THR . 12.3 p -150.49 149.02 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.15 120.19 9.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.5 m -88.29 94.36 9.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.494 HD22 ' CD1' ' A' ' 55' ' ' TYR . 32.8 mt -70.34 106.96 3.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.6 -175.46 3.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 61.35 61.5 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.7 mt -122.23 -177.68 3.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.54 162.44 13.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.435 ' HD3' ' CB ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -83.29 130.61 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.1 t80 38.05 72.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.41 144.4 29.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -74.84 128.48 35.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.51 ' CZ ' ' HG2' ' A' ' 57' ' ' GLU . 5.7 m-85 -128.75 135.55 49.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.11 113.14 2.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.435 ' CG2' HD12 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -115.96 159.99 15.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.408 ' CG1' ' HB2' ' A' ' 109' ' ' GLU . 1.4 m -135.47 129.15 49.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.9 t -101.74 148.05 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -153.11 145.86 24.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.688 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.65 121.36 33.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.603 ' C ' ' CD1' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -117.48 134.28 55.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.56 178.38 5.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -67.69 -24.24 65.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.91 -25.79 59.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.87 -174.13 30.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.442 HG23 ' CB ' ' A' ' 98' ' ' PHE . 7.2 m -108.05 147.86 30.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 110.373 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -98.5 -169.84 31.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.514 1.133 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.21 29.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.3 p -96.62 168.51 10.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 51.9 p -97.7 162.98 13.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.931 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.89 119.23 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.408 ' HB2' ' CG1' ' A' ' 94' ' ' VAL . 4.6 tt0 -65.97 112.68 3.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.478 ' HB ' ' CD2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -89.94 -163.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -152.71 136.83 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.518 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -146.38 100.94 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.7 m -69.77 121.66 17.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 18.4 p -52.59 -174.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.9 mt -95.21 159.51 14.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.35 -3.04 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.7 t -163.49 133.94 4.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.61 142.83 6.68 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -51.87 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.042 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.0 m -46.05 142.27 2.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.1 t -168.1 124.37 1.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.0 135.72 2.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 0.738 . . . . 0.0 109.989 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.75 168.64 17.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.76 147.14 18.14 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -153.21 136.41 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.73 125.04 49.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.44 112.02 3.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.7 mp -86.99 133.99 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.77 . . . . 0.0 109.265 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 10' ' ' THR . 38.3 t -128.51 -135.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.968 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER 170.18 137.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 60.84 104.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -95.2 -176.89 3.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.138 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.98 152.2 49.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -59.17 161.27 9.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.73 19.45 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -108.88 60.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.59 142.17 3.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 172.96 15.33 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.486 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 18.4 Cg_endo -75.03 158.12 42.27 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.431 ' HE1' ' NZ ' ' A' ' 40' ' ' LYS . 43.9 mtp -98.97 178.4 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t70 50.65 28.24 3.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 19' ' ' PRO . 41.4 t -72.13 111.15 5.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -153.83 151.97 30.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.528 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 50.1 mt -106.6 163.98 12.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -166.64 118.11 0.77 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.23 2.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -91.52 -33.75 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.431 ' OG1' ' CB ' ' A' ' 31' ' ' SER . 1.2 p -124.52 -168.32 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.9 p -100.16 1.81 42.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -147.07 26.31 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.0 OUTLIER -154.26 168.94 24.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.96 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.8 mt -152.39 136.82 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -89.71 132.56 35.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.148 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.528 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 95.5 t -124.16 104.69 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.494 ' CG2' ' CG2' ' A' ' 79' ' ' VAL . 1.2 p -109.98 140.51 43.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.457 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 33.5 p90 -150.89 164.93 35.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 107.995 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -117.17 162.77 17.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.14 136.3 8.63 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 98.39 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' NZ ' ' HE1' ' A' ' 20' ' ' MET . 6.0 mptp? 48.54 -169.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -117.01 -47.18 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -85.05 10.83 10.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.0 mt -104.2 -36.0 7.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -38.3 -35.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 1.1 m-20 64.02 22.21 12.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.565 ' O ' ' CG1' ' A' ' 47' ' ' VAL . . . 112.98 68.02 0.51 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.554 1.158 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.565 ' CG1' ' O ' ' A' ' 46' ' ' GLY . 8.5 p 48.43 172.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.432 ' H ' ' CG2' ' A' ' 47' ' ' VAL . 4.8 mm -123.03 140.36 46.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.8 -37.65 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.445 ' HA3' ' CZ ' ' A' ' 98' ' ' PHE . . . -172.59 174.56 45.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE1' ' OE2' ' A' ' 78' ' ' GLU . 6.7 m-85 -126.19 173.15 9.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -134.13 132.33 39.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.435 HD13 ' N ' ' A' ' 53' ' ' ILE . 3.5 mp -114.72 109.82 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -105.31 116.04 5.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.51 ' CE1' HD11 ' A' ' 82' ' ' LEU . 21.7 p90 -135.73 146.99 48.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.57 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.6 143.68 18.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.528 ' HA ' ' CE1' ' A' ' 91' ' ' TYR . 1.1 tt0 -50.46 122.97 7.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 1.2 t-20 -88.83 44.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.75 159.33 46.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 78.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 136.23 50.46 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.2 t -93.51 -173.29 3.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.019 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.59 -60.81 2.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 157.25 -76.02 0.21 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -96.77 173.4 7.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 13.6 m-85 -80.46 122.31 26.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 m -69.47 111.32 5.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.973 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.9 mm -90.13 139.77 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -127.77 119.56 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.53 135.39 36.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.409 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 1.7 ppp? -144.37 -179.26 6.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -118.94 149.27 41.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.46 105.92 6.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.8 p -60.54 -38.02 83.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.05 -130.47 1.54 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.51 -28.28 56.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.7 p -125.29 145.91 49.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.585 ' OE2' ' CE1' ' A' ' 51' ' ' TYR . 8.4 mp0 -135.69 158.31 44.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.494 ' CG2' ' CG2' ' A' ' 35' ' ' THR . 14.9 p -150.08 147.79 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.565 ' CE1' HD12 ' A' ' 82' ' ' LEU . 3.0 t80 -145.41 127.51 15.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.9 m -103.22 102.91 12.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 80' ' ' TYR . 2.6 mm? -73.31 107.17 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -89.86 179.12 6.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 60.81 61.39 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.6 mt -122.79 174.14 7.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.19 -175.95 6.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -114.22 130.75 56.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.48 ' N ' ' HG1' ' A' ' 114' ' ' THR . 7.6 t80 48.05 55.53 8.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.51 145.28 50.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 5.9 tt0 -74.28 118.38 17.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.528 ' CE1' ' HA ' ' A' ' 57' ' ' GLU . 1.5 m-85 -125.55 129.52 49.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.47 135.65 12.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.07 152.78 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 0.791 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.1 m -137.73 119.8 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.426 HG11 ' CD2' ' A' ' 36' ' ' TRP . 17.4 t -92.56 145.68 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -152.95 140.64 19.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.39 132.18 36.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.595 ' C ' ' CD1' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -124.62 137.82 54.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -123.42 178.33 5.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -64.02 -26.69 68.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.72 -25.94 61.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.9 -171.57 29.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 34.6 m -105.06 148.09 27.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -101.23 -171.71 28.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 157.76 42.7 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 m -99.22 165.81 11.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.0 p -80.29 166.82 20.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.8 p -50.58 155.88 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -79.68 117.69 20.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -109.38 -172.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -152.62 165.21 35.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.38 69.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.0 m -39.31 113.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.48 ' HG1' ' N ' ' A' ' 88' ' ' PHE . 2.8 p -48.26 176.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 33.3 mt -83.65 149.85 26.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 116' ' ' GLU . 15.4 tt0 -96.51 -0.95 48.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.1 m 61.35 120.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -155.21 -168.2 18.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.38 5.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.82 170.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.08 -58.0 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.85 157.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -174.7 166.94 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.96 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.14 133.76 6.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.91 83.07 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.2 163.72 17.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.47 163.99 26.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.137 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.8 pt -94.09 37.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.337 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 65.11 32.76 10.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.495 ' CG2' ' N ' ' A' ' 11' ' ' GLU . 9.5 t -119.9 -146.29 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.495 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.2 mt-10 44.61 88.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -97.03 178.42 5.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.62 150.88 48.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -53.65 160.39 2.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 150.97 38.68 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -122.52 42.5 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.62 135.72 2.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.28 18.63 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 164.11 33.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.4 mmm -107.28 172.31 6.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t70 54.78 36.24 25.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.58 111.88 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 t -151.98 158.51 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.504 ' CD2' ' CG2' ' A' ' 34' ' ' VAL . 48.0 mt -108.59 165.47 11.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.18 118.29 0.73 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.276 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HB2' ' CD2' ' A' ' 115' ' ' LEU . 18.2 Cg_endo -75.0 115.63 4.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 m -100.77 -31.5 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.506 ' OG1' ' CB ' ' A' ' 31' ' ' SER . 74.7 p -125.93 -163.79 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 m -95.49 -23.0 17.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -133.87 39.89 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.506 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.5 OUTLIER -164.65 137.79 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.486 ' CD1' HG21 ' A' ' 114' ' ' THR . 87.8 mt -124.68 146.55 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' N ' HG22 ' A' ' 32' ' ' ILE . 31.1 tt0 -98.77 134.61 41.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.504 ' CG2' ' CD2' ' A' ' 24' ' ' LEU . 72.3 t -124.18 113.52 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.495 ' CG2' ' CG2' ' A' ' 79' ' ' VAL . 1.1 p -114.96 141.36 48.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.49 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 17.7 p90 -152.14 158.73 43.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 107.993 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . 19.7 mtpt -114.32 158.65 21.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . -39.91 141.62 0.76 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 171.71 17.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -38.0 132.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -60.68 -54.34 46.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -62.13 -21.11 64.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -110.67 51.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -106.34 -53.08 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 2.1 m120 70.41 59.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.591 1.182 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.47 161.49 9.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' ' 48' ' ' ILE . 53.6 t -42.96 161.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.513 HG23 ' CE1' ' A' ' 51' ' ' TYR . 4.4 mm -106.44 132.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -82.74 -27.9 30.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.433 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 173.63 -173.58 45.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.605 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 28.6 m-85 -141.69 162.29 35.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -112.34 149.96 31.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.491 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 4.6 mp -130.82 95.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.41 115.0 4.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.493 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 24.0 p90 -129.92 142.51 50.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.645 ' NE ' ' CE1' ' A' ' 66' ' ' TYR . 8.1 ptt180 -157.01 148.78 22.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.492 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 7.2 tt0 -56.27 118.19 4.5 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -94.54 44.59 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.03 167.0 35.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.003 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 88.03 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.12 40.99 0.72 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.98 163.17 14.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -178.67 37.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 65' ' ' GLN . . . -99.92 22.59 39.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 64' ' ' GLY . 0.0 OUTLIER 52.33 171.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.645 ' CE1' ' NE ' ' A' ' 56' ' ' ARG . 24.7 m-85 -90.28 117.96 29.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.5 m -71.43 106.38 3.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.978 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.4 mm -82.99 144.63 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -143.56 112.59 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -84.19 138.38 33.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -141.74 -177.82 5.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' O ' ' SD ' ' A' ' 71' ' ' MET . 4.4 mttm -95.87 154.78 17.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.078 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.25 97.27 11.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 74.2 p -47.93 -37.61 14.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.38 -132.99 2.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 38' ' ' ALA . 1.9 m-20 -66.08 -37.54 86.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.5 p -120.22 145.16 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.598 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 1.3 mp0 -131.79 156.56 45.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.495 ' CG2' ' CG2' ' A' ' 35' ' ' THR . 12.8 p -146.0 146.35 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.599 ' CE1' HD11 ' A' ' 82' ' ' LEU . 6.3 t80 -146.53 138.15 24.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.5 m -108.0 106.44 16.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.599 HD11 ' CE1' ' A' ' 80' ' ' TYR . 2.9 mm? -78.74 106.17 10.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.04 -176.22 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.088 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 61.58 46.28 7.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.436 ' CD1' ' O ' ' A' ' 82' ' ' LEU . 38.6 mt -108.14 166.98 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -77.96 -170.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -121.22 138.13 54.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.5 t80 45.61 36.6 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.17 143.91 49.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.45 ' NE2' ' OD1' ' A' ' 111' ' ' ASN . 43.8 tt0 -74.62 133.43 42.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.492 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 5.8 m-85 -133.08 128.37 36.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.81 124.55 7.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.493 ' HB ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -132.68 161.2 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 21.8 m -131.23 173.33 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.478 HG11 ' CZ3' ' A' ' 36' ' ' TRP . 19.3 t -144.25 140.39 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -146.81 149.66 33.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.605 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.0 129.66 36.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -125.25 132.23 52.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -124.41 177.01 6.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -23.14 56.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.0 -24.37 59.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.78 -155.21 26.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.6 m -119.74 152.76 36.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 110.395 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -100.35 -172.55 29.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 160.01 40.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.4 p -76.02 169.5 18.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.37 159.66 15.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.86 117.58 1.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.67 145.19 40.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.78 -174.0 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.45 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 23.9 m-80 -153.33 146.9 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -151.77 87.65 1.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.7 m -58.94 105.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.486 HG21 ' CD1' ' A' ' 32' ' ' ILE . 80.9 p -41.18 155.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.433 ' CD2' ' HB2' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -48.09 174.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.259 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 116' ' ' GLU . 16.1 tt0 -94.55 -2.51 51.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.2 m 52.56 96.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -129.82 -163.62 11.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 63.58 6.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t 39.44 90.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.9 m -93.33 115.76 28.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.01 163.33 40.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 0.735 . . . . 0.0 109.999 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.0 151.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.05 -166.53 29.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -160.32 -58.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 0.739 . . . . 0.0 110.039 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 p -135.96 165.15 26.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.24 103.52 0.45 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.125 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.9 mp -98.5 136.92 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 m 63.19 85.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.6 m -93.81 16.23 14.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -121.89 93.16 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -97.89 -178.24 4.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.62 144.86 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.47 155.83 0.7 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 131.7 14.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -103.5 56.25 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.39 138.28 2.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.85 15.54 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 160.26 40.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.4 mtp -106.26 178.67 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 t0 51.84 31.19 7.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.08 107.0 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 t -139.8 154.79 47.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 mt -117.16 158.92 23.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -164.4 121.92 1.16 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 118.94 5.44 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 m -105.61 -40.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.501 ' OG1' ' CB ' ' A' ' 31' ' ' SER . 54.0 p -119.55 178.9 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.375 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -82.2 -22.63 35.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -129.29 48.6 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.501 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.2 OUTLIER -177.51 170.01 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 33' ' ' GLN . 50.5 mt -152.39 159.75 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.413 ' N ' HG21 ' A' ' 32' ' ' ILE . 50.5 tt0 -104.3 124.96 50.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 79' ' ' VAL . 41.8 t -117.56 118.71 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.475 ' CG2' HG21 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -121.73 140.36 52.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 30.8 p90 -154.23 161.98 41.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.019 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -116.93 172.88 6.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.58 137.2 42.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.24 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 98.79 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.4 -168.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -118.99 -47.55 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -76.17 -12.1 60.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.14 -20.52 18.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -51.3 -26.97 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 41.37 42.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.95 174.52 24.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.9 m -54.71 176.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.732 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.4 mm -125.6 145.46 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.29 -25.76 14.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.442 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 168.07 -178.12 41.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.675 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 10.3 m-85 -136.21 153.57 51.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.424 ' NE2' HG22 ' A' ' 68' ' ' ILE . 45.8 mt-30 -105.09 135.48 46.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.484 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 4.3 mp -119.31 111.47 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -104.79 127.96 9.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 39.1 p90 -135.81 139.06 43.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 0.771 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -154.49 138.77 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.527 ' HA ' ' CE1' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -43.4 131.07 4.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.264 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -94.83 39.83 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.83 151.4 43.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 88.41 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.544 1.813 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.44 35.31 1.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.4 t -82.32 176.6 9.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.738 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.35 -59.65 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.54 -58.55 0.58 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -45.25 130.06 8.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 19.6 m-85 -90.84 128.66 36.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.573 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 75.4 m -76.21 105.62 7.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.424 HG22 ' NE2' ' A' ' 52' ' ' GLN . 32.0 mm -85.48 147.68 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.513 ' HB ' ' CZ ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -137.61 117.65 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -79.94 137.72 36.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 3.5 ppp? -139.33 177.83 7.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.45 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -121.8 147.25 46.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.27 142.49 31.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 p -129.29 12.5 6.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 110.349 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.81 -139.95 6.13 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -97.22 -38.28 9.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.268 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.404 ' O ' ' OE2' ' A' ' 78' ' ' GLU . 22.4 p -106.04 130.6 53.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.41 ' HB3' ' CE ' ' A' ' 71' ' ' MET . 32.3 mm-40 -126.37 160.89 29.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.475 HG21 ' CG2' ' A' ' 35' ' ' THR . 8.2 p -147.52 147.73 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.54 ' CD1' HD11 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -142.04 123.86 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.0 m -90.11 96.29 10.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.54 HD11 ' CD1' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -69.91 106.16 3.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.63 -179.37 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 63.85 67.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.445 HD12 ' CA ' ' A' ' 31' ' ' SER . 19.6 mt -128.2 -171.17 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.88 161.99 14.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' PHE . 7.4 mttt -79.06 135.0 36.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 115' ' ' LEU . 15.1 t80 36.71 63.35 0.67 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.4 ' N ' ' OG1' ' A' ' 114' ' ' THR . . . -136.62 135.21 38.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.478 ' CG ' ' HB3' ' A' ' 111' ' ' ASN . 4.3 tt0 -74.19 130.27 39.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.527 ' CE1' ' HA ' ' A' ' 57' ' ' GLU . 5.1 m-85 -131.6 123.11 27.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.03 104.54 3.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.5 157.11 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.729 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.4 m -122.01 178.91 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.4 t -147.1 135.57 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -148.18 140.85 24.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.675 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.19 118.86 30.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 5.5 p90 -107.23 129.87 54.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 99' ' ' ASN . 0.5 OUTLIER -124.47 164.22 20.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -24.95 38.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.37 -19.81 60.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.26 -166.87 29.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.402 HG21 ' CB ' ' A' ' 98' ' ' PHE . 4.8 m -114.46 142.69 46.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 0.796 . . . . 0.0 110.399 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -94.36 175.56 34.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.77 42.26 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.67 167.97 15.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.1 170.66 9.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.29 115.13 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.9 129.91 44.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.41 -162.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.478 ' HB3' ' CG ' ' A' ' 90' ' ' GLN . 84.3 m-20 -152.74 139.77 19.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -156.11 97.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 114' ' ' THR . 23.9 m -67.57 123.35 20.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.435 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 113' ' ' THR . 4.7 p -49.99 -177.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 88' ' ' PHE . 0.4 OUTLIER -83.26 174.56 10.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.94 -1.0 26.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.7 t 168.26 126.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 60.2 -172.97 5.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -164.29 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.4 t -95.05 -56.99 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.23 116.75 33.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.21 87.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 110.0 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -148.88 123.49 9.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.56 154.1 45.91 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 p -157.17 149.59 23.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.75 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 p -108.08 100.58 9.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.32 133.58 2.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.8 mt -103.68 71.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.5 m -150.93 88.75 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.963 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.6 m -93.54 16.21 14.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.403 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -125.87 95.5 4.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -96.0 175.43 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.34 147.17 49.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.84 157.61 0.32 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 149.54 36.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -123.07 57.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.22 135.93 1.9 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 174.39 12.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.58 24.51 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -108.53 159.56 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.9 t0 61.0 47.73 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.444 ' CG1' HG23 ' A' ' 95' ' ' VAL . 6.2 t -86.16 105.82 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -149.36 153.06 36.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.54 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -106.4 158.97 16.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.83 115.69 3.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.447 ' HB2' ' CD1' ' A' ' 115' ' ' LEU . 18.2 Cg_endo -75.01 109.67 2.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -102.79 -38.31 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.497 ' OG1' ' CB ' ' A' ' 31' ' ' SER . 13.3 p -111.29 -170.93 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -89.01 -36.67 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -123.37 45.41 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.497 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.7 OUTLIER -167.44 151.56 6.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 33' ' ' GLN . 79.3 mt -135.64 145.08 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.416 ' N ' HG21 ' A' ' 32' ' ' ILE . 21.0 tt0 -96.96 122.56 40.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.427 ' CG2' HD11 ' A' ' 24' ' ' LEU . 42.5 t -108.76 122.88 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.464 ' CG2' HG22 ' A' ' 79' ' ' VAL . 0.8 OUTLIER -126.09 135.48 51.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.388 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.415 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 14.5 p90 -149.22 170.16 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 108.03 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -124.91 158.91 32.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -39.94 143.71 0.58 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.02 -179.23 4.79 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' PRO . 2.4 mptp? -38.5 145.67 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HA ' ' NE2' ' A' ' 44' ' ' GLN . 36.2 tptt -68.35 -57.27 6.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -84.09 48.15 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 44' ' ' GLN . 15.0 mt -147.58 -45.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' LEU . 4.0 mt-30 -33.08 -41.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 58.91 57.03 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.68 -177.01 29.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.6 p -67.42 161.08 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.607 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 4.6 mm -110.61 127.45 67.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -79.99 -32.34 39.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.607 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 177.16 179.76 47.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.632 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 18.2 m-85 -135.21 147.04 49.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -98.22 151.54 20.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.454 HG22 ' CD1' ' A' ' 82' ' ' LEU . 4.3 mp -131.79 102.56 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.452 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -96.31 109.38 3.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.416 ' HB2' ' CG1' ' A' ' 93' ' ' VAL . 23.2 p90 -124.51 141.88 51.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.58 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.7 152.91 27.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -48.03 147.66 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.43 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 3.1 t-20 -96.66 36.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.09 159.91 28.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 115.49 4.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.82 56.59 23.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 63' ' ' ASN . 64.2 m -75.41 -2.04 26.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.953 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 62' ' ' SER . 40.6 m-20 39.18 39.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.23 85.1 0.33 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -41.41 135.52 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.774 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.58 ' CD1' ' HG2' ' A' ' 56' ' ' ARG . 11.6 m-85 -42.16 112.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.405 ' CB ' ' CE1' ' A' ' 55' ' ' TYR . 36.4 m -64.62 105.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.452 HD13 ' CA ' ' A' ' 54' ' ' GLY . 42.5 mm -84.99 147.62 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.07 112.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.32 146.9 31.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.48 ' HB3' ' CE1' ' A' ' 80' ' ' TYR . 8.0 ptm -157.58 149.88 22.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 152.25 32.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.42 115.15 26.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.9 p -58.98 -41.66 88.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.345 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.46 -132.32 2.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.35 -41.84 94.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.8 p -112.52 148.84 33.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 14.5 mp0 -137.73 150.89 47.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.464 HG22 ' CG2' ' A' ' 35' ' ' THR . 7.2 p -149.26 146.91 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.48 ' CE1' ' HB3' ' A' ' 71' ' ' MET . 27.7 t80 -140.09 128.0 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m -82.67 104.16 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.454 ' CD1' HG22 ' A' ' 53' ' ' ILE . 64.2 mt -86.01 106.47 17.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.72 -177.64 3.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 62.4 62.7 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 44.9 mt -121.23 -172.23 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.4 161.18 13.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -91.03 129.94 36.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.2 t80 46.0 66.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.54 143.78 25.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -74.51 141.76 44.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -141.71 133.71 27.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.33 107.26 1.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.416 ' CG1' ' HB2' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -109.7 161.63 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 1.2 m -132.1 139.84 49.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.444 HG23 ' CG1' ' A' ' 22' ' ' VAL . 10.1 t -113.2 146.59 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -153.15 149.43 28.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.632 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.28 128.5 37.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 1.1 p90 -124.19 131.58 53.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -124.55 178.36 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -66.12 -12.85 58.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.96 -23.96 33.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.57 -153.29 24.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.105 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 m -125.25 143.18 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -89.31 -173.26 46.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 162.5 37.01 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 83.9 p -86.56 150.31 24.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.2 p -84.54 168.52 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.66 119.3 6.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -66.02 112.52 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.473 ' HB ' ' CD2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -89.1 -163.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -152.48 135.36 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.54 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.24 91.93 1.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.8 m -61.85 132.24 52.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.69 167.55 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' A' ' 26' ' ' PRO . 0.2 OUTLIER -65.44 174.18 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.241 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.12 2.22 32.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.59 125.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 149.08 178.41 24.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 140.91 26.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.478 1.778 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.9 p -106.63 162.96 13.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.087 . . . . 0.0 109.998 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.1 m -104.47 146.88 28.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -153.37 81.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -152.63 144.39 23.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.84 89.18 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -87.93 169.83 11.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 0.731 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -150.52 -57.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.976 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.37 -154.31 16.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 64.2 mt -85.45 66.2 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.2 p -172.12 110.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.3 m -87.99 16.35 6.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.424 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -127.26 96.21 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -53.09 172.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.89 145.23 50.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.13 159.09 2.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.53 35.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -120.96 56.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.15 137.31 2.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 168.34 25.06 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.7 mtp -111.67 171.49 7.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.0 t0 52.24 45.31 28.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.455 HG22 ' CB ' ' A' ' 107' ' ' SER . 8.6 t -85.63 106.13 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -146.05 150.61 36.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.519 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 0.3 OUTLIER -104.69 166.33 10.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -167.28 115.91 0.68 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 109.73 2.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.505 1.792 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m -93.41 -33.85 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 p -116.8 -148.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 p -108.01 -32.32 7.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.031 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -124.82 45.42 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.446 ' O ' ' CG1' ' A' ' 32' ' ' ILE . 1.1 p -163.49 170.03 17.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 31' ' ' SER . 28.0 mt -154.75 138.96 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.432 ' N ' HG21 ' A' ' 32' ' ' ILE . 1.1 tp60 -92.2 110.47 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.9 t -99.1 109.6 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.477 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.1 p -112.11 136.17 51.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 38.1 p90 -148.42 161.56 41.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 107.994 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . 18.3 mttt -118.27 155.42 30.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.49 144.73 0.46 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.5 Cg_endo -74.89 171.59 17.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -39.19 131.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.08 -42.31 99.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.23 -3.55 27.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 mt -117.5 31.88 6.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -117.71 93.85 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -75.18 60.46 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.92 175.91 32.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.4 p -52.63 168.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.504 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 4.1 mm -116.53 132.6 65.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 49' ' ' ARG . 4.9 mmm180 -83.07 -33.03 26.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 173.24 176.68 41.94 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.676 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 7.5 m-85 -131.36 136.81 48.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.741 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -84.61 142.43 29.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.516 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 3.9 mp -120.85 96.08 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.62 118.76 5.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.534 ' CD2' ' HG ' ' A' ' 82' ' ' LEU . 48.2 p90 -134.94 139.82 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.766 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.577 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -156.34 157.35 35.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.494 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 3.1 tt0 -54.61 130.22 39.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -92.08 37.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.38 152.15 83.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 91.55 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.801 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.06 36.51 2.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.3 149.49 27.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.982 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -134.52 70.66 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.94 97.84 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.133 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -38.61 124.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 9.1 m-85 -39.34 114.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.2 m -62.42 107.32 0.9 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.7 mm -88.74 147.22 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.41 119.73 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.69 137.53 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' A' ' 78' ' ' GLU . 1.3 ppp? -144.71 -178.45 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -122.79 150.32 42.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.97 125.57 29.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.7 p -108.7 31.18 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.01 -156.66 22.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.147 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.33 -30.04 63.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 0.746 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 p -118.36 151.4 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.413 1.071 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.461 ' HB3' ' CE ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -137.8 163.4 31.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.477 ' CG2' HG22 ' A' ' 35' ' ' THR . 13.8 p -151.72 148.89 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.565 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -146.0 130.68 17.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.8 m -96.32 92.87 6.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.42 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -70.44 106.76 3.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -95.13 -172.12 2.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 61.54 55.68 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.6 mt -116.58 179.39 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.23 150.26 21.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -82.22 122.14 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 116' ' ' GLU . 5.1 t80 62.52 63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.81 139.77 20.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -75.78 138.07 40.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.494 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 15.1 m-85 -138.49 132.29 31.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.42 108.18 1.85 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -103.66 164.19 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 m -138.86 122.02 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 20.0 t -95.06 146.76 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -150.68 146.1 26.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.676 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.2 121.69 33.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -119.87 132.44 55.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -124.29 178.32 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -63.4 -19.01 64.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.72 -24.47 49.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.4 -158.98 27.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.434 HG21 ' CB ' ' A' ' 98' ' ' PHE . 2.2 m -118.26 145.75 44.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -100.9 -168.0 28.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.01 39.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.788 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.63 163.87 13.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.455 ' CB ' HG22 ' A' ' 22' ' ' VAL . 99.3 p -86.13 164.71 17.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.26 123.73 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -65.2 130.68 44.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.491 ' CD1' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -114.33 -163.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -153.51 142.11 20.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.519 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.86 92.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 47.3 m -60.25 114.75 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 39.8 p -54.5 156.99 3.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.429 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.7 mt -48.82 150.21 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . 1.4 pt-20 -76.88 -0.79 25.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.254 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 65.53 88.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.961 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -157.97 158.02 28.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 56.39 4.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.3 t 39.71 85.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.2 t -109.3 109.23 20.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 p -174.52 137.69 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 0.0 109.974 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -175.63 157.27 2.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.41 72.25 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.5 89.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.96 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 m -143.92 169.19 18.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.45 62.45 0.63 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.1 mt -102.07 115.47 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.347 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.22 70.37 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 m 61.44 134.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.365 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 41.4 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.69 -178.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.68 146.47 26.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.61 161.17 0.52 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 18.4 Cg_endo -74.98 139.17 24.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.784 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -109.66 45.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.404 ' HA2' ' HD3' ' A' ' 18' ' ' PRO . . . 178.78 142.32 4.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.98 174.29 13.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 168.32 25.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.3 mtp -107.55 162.92 13.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 56.09 50.63 13.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 t -88.63 106.17 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -146.25 151.45 37.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.526 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 0.3 OUTLIER -103.9 164.72 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -160.91 115.48 1.34 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.81 2.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.438 1.757 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.4 m -88.12 -35.79 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.1 p -120.6 -148.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.46 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.41 -23.22 10.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -126.57 40.44 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.346 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -164.97 168.39 17.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.2 mt -153.33 137.48 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -93.32 129.17 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.476 HG22 ' CD2' ' A' ' 82' ' ' LEU . 43.2 t -116.36 113.81 44.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.479 ' CG2' HG22 ' A' ' 79' ' ' VAL . 1.1 p -113.77 134.35 54.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.392 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.504 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 28.3 p90 -146.78 176.95 9.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -135.14 162.13 33.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -43.96 140.36 2.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.98 171.64 17.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.5 1.79 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -39.84 157.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.87 -51.25 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -65.04 -11.16 36.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.275 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -106.09 -20.31 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -50.51 -47.11 57.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 59.88 42.62 16.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.43 -158.84 14.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.0 p -90.58 169.75 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.447 HG22 ' CE1' ' A' ' 51' ' ' TYR . 5.1 mm -113.76 150.09 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -115.32 -34.28 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.571 ' HA3' ' CZ ' ' A' ' 98' ' ' PHE . . . -174.7 172.03 45.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.701 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 6.0 m-85 -131.42 151.78 51.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' NE2' HG23 ' A' ' 68' ' ' ILE . 41.8 mt-30 -105.14 134.58 48.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.468 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 4.5 mp -111.78 105.87 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.429 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -97.02 107.44 3.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.495 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 27.9 p90 -124.77 142.89 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.576 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.21 145.42 20.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -60.51 138.71 57.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.95 38.76 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.89 168.44 16.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.05 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 106.31 2.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 161.59 -48.2 0.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.0 t -52.86 136.62 33.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 0.768 . . . . 0.0 110.049 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 65' ' ' GLN . 8.8 p-10 -45.91 -31.9 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.15 -50.99 0.74 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.416 ' HB2' ' ND2' ' A' ' 63' ' ' ASN . 18.1 mt-30 -56.57 122.49 12.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.576 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 6.1 m-85 -57.17 119.08 5.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.495 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 14.9 m -62.78 107.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.429 HD13 ' CA ' ' A' ' 54' ' ' GLY . 32.6 mm -89.63 148.58 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.539 HG23 ' CE2' ' A' ' 80' ' ' TYR . 0.2 OUTLIER -144.27 112.94 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.35 136.42 35.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.409 ' SD ' HD13 ' A' ' 53' ' ' ILE . 5.1 ptm -153.02 152.42 31.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 149.61 26.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.36 137.26 34.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.1 p -91.62 28.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 125.01 -140.35 12.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -72.93 -22.6 60.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 0.752 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.408 ' C ' ' CD ' ' A' ' 78' ' ' GLU . 76.6 p -119.4 153.31 35.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.504 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 17.5 mp0 -147.04 156.44 43.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.479 HG22 ' CG2' ' A' ' 35' ' ' THR . 9.2 p -151.09 148.9 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.539 ' CE2' HG23 ' A' ' 69' ' ' VAL . 21.1 t80 -146.5 133.79 20.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 111.068 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -102.7 109.29 20.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.425 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 34' ' ' VAL . 2.7 mm? -78.7 106.68 10.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.4 OUTLIER -93.83 160.15 14.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 5.1 m-20 81.02 55.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.5 mt -118.85 172.52 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -87.07 157.76 19.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -90.65 127.54 36.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' CE2' ' OE2' ' A' ' 116' ' ' GLU . 6.9 t80 57.71 44.36 20.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.053 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -125.72 142.78 51.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -74.95 133.58 41.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 18.7 m-85 -135.9 127.9 29.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.21 100.26 1.07 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -100.72 163.4 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.27 128.43 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 t -98.42 148.13 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -153.36 139.86 18.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.701 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.2 133.54 35.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 2.3 p90 -129.17 137.21 51.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 15' ' ' PRO . 10.5 p30 -124.2 178.31 5.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -64.33 -13.15 48.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.35 -18.52 31.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.46 -169.58 25.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.1 m -108.07 153.58 22.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -102.03 -175.84 27.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 157.3 42.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 p -82.29 160.22 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.46 176.77 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.82 118.31 6.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -65.04 120.35 12.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.489 ' HB ' ' CD2' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -99.78 -163.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -151.77 138.06 18.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.526 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -152.05 100.0 2.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.1 m -68.61 127.93 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.439 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.68 164.81 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.14 142.76 41.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.565 ' OE2' ' CE2' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -86.06 77.09 9.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.62 91.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 51.03 -175.8 0.07 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 110.83 3.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.45 1.763 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.7 t -141.94 -56.16 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.946 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.1 t -53.99 147.9 11.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.8 p -169.38 155.49 6.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 0.761 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.82 148.88 9.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.961 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.86 171.4 20.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 t -156.15 116.25 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 110.029 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -175.6 128.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.7 108.96 0.39 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.8 mm -107.04 144.27 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 m 44.83 82.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 33.2 m -89.3 16.28 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -126.01 95.45 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -102.95 174.9 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.37 142.7 15.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.408 ' N ' ' HB2' ' A' ' 101' ' ' ALA . . . -46.05 151.17 0.94 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 121.18 6.44 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -91.85 35.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' HA2' ' HD3' ' A' ' 18' ' ' PRO . . . -173.07 137.23 4.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -75.02 173.57 14.29 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.58 38.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' LYS . 38.6 mtp -107.95 168.65 9.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.5 t0 56.14 27.21 11.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.459 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 1.2 m -85.47 118.26 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -153.57 146.79 24.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.507 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 0.9 OUTLIER -89.19 164.98 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -160.35 116.88 1.46 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.43 ' HB2' ' CD2' ' A' ' 115' ' ' LEU . 18.4 Cg_endo -74.96 114.52 4.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.5 m -107.44 -36.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 p -119.25 -164.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -91.04 -40.94 11.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -121.88 52.24 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.34 140.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.7 mt -133.4 149.03 30.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -95.53 145.89 24.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 24' ' ' LEU . 21.7 t -130.36 106.12 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.501 ' CG2' ' CG2' ' A' ' 79' ' ' VAL . 0.9 OUTLIER -114.56 132.86 56.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.375 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.535 ' CZ2' ' HB2' ' A' ' 78' ' ' GLU . 48.1 p90 -142.94 177.27 8.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 107.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' MET . 7.3 mttt -128.78 164.9 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.444 ' CA ' ' O ' ' A' ' 76' ' ' ASP . . . -44.48 137.12 4.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.02 105.92 2.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.458 1.767 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.7 OUTLIER 47.65 -174.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -113.79 -52.41 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -90.68 36.37 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.478 ' O ' ' C ' ' A' ' 44' ' ' GLN . 13.6 mt -131.02 -41.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' A' ' 43' ' ' LEU . 5.5 mt-30 -32.46 -44.54 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 58.95 46.59 13.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.98 160.15 20.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.7 t -48.64 155.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.503 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.7 mm -104.49 134.64 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -85.35 -27.91 25.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.437 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 170.46 -178.08 43.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.661 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 9.2 m-85 -135.56 154.51 51.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -107.68 130.47 54.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.452 HD11 ' N ' ' A' ' 53' ' ' ILE . 4.4 mp -113.51 101.34 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 93' ' ' VAL . . . -97.65 107.57 3.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.48 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 53.6 p90 -121.32 144.98 48.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.96 145.94 20.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.563 ' HA ' ' CD1' ' A' ' 91' ' ' TYR . 1.6 tt0 -47.44 126.63 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -91.25 45.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.52 153.45 40.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 104.35 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.547 1.814 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.81 36.79 4.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 m -84.33 -176.59 6.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -53.65 -63.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.69 -59.01 0.56 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.456 1.097 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -52.02 119.93 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 7.8 m-85 -77.32 120.19 22.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.1 m -66.7 106.69 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.956 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.5 mm -90.97 141.76 13.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.16 112.06 15.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -86.08 134.7 33.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.255 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 3.1 ppp? -141.77 -174.36 4.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' O ' ' SD ' ' A' ' 71' ' ' MET . 3.6 mttm -104.21 158.96 16.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.2 96.9 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.0 p -53.68 -50.72 65.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.82 -134.19 2.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.444 ' O ' ' CA ' ' A' ' 38' ' ' ALA . 69.9 m-20 -76.63 -35.3 58.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.401 ' O ' ' OE2' ' A' ' 78' ' ' GLU . 59.8 p -113.7 154.05 27.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.535 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 28.1 mm-40 -139.64 169.12 18.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.501 ' CG2' ' CG2' ' A' ' 35' ' ' THR . 7.5 p -151.15 150.67 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.421 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -147.23 136.81 22.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.2 m -104.55 94.54 5.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.426 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -69.66 121.05 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -115.12 167.75 10.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER 79.07 45.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.7 mt -104.85 -170.78 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.93 -171.81 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -107.59 131.49 54.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.492 ' CG ' ' OE1' ' A' ' 116' ' ' GLU . 6.7 t80 39.08 65.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.72 139.77 31.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -74.28 134.06 42.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.563 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 12.0 m-85 -134.41 123.06 23.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.8 133.26 11.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 94' ' ' VAL . 0.2 OUTLIER -135.5 163.22 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.491 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 10.9 m -136.26 119.45 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 37.1 t -90.09 140.65 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -153.62 137.29 16.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.661 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -91.44 134.84 34.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 7.1 p90 -128.09 136.59 51.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -124.7 177.73 5.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -62.05 -23.42 66.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.408 ' HB2' ' N ' ' A' ' 14' ' ' ALA . . . -75.76 -25.0 56.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 143.42 -176.2 23.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.2 m -98.81 157.02 16.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.759 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -111.87 -167.66 18.09 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.502 1.126 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.0 41.87 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.15 160.15 14.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.79 179.03 5.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -65.05 122.89 18.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 108' ' ' SER . 39.8 tt0 -37.85 104.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.479 HD13 ' CD2' ' A' ' 24' ' ' LEU . 9.0 pt -95.28 171.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -154.63 174.92 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.507 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . 176.1 110.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 m -77.82 130.05 36.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.42 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 4.7 p -57.86 172.23 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.445 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -75.56 177.63 6.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.492 ' OE1' ' CG ' ' A' ' 88' ' ' PHE . 10.2 mm-40 -83.04 0.41 45.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.45 -176.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.25 158.96 42.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.7 41.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.15 162.6 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.051 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.87 153.34 35.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 t -62.79 109.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 0.0 110.037 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.64 143.69 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.07 65.76 0.57 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.03 115.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.777 . . . . 0.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 p -140.39 158.26 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.041 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.02 -136.17 1.95 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mt -74.41 113.0 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 m -112.38 41.86 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 m -90.05 -144.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -178.55 126.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -57.16 -174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.94 156.15 47.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' N ' ' HB1' ' A' ' 101' ' ' ALA . . . -50.14 164.35 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 18.1 Cg_endo -75.11 132.67 15.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -103.0 40.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.14 136.9 4.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.28 13.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 164.85 32.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.9 mtp -119.52 166.42 13.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t0 52.28 29.98 7.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.436 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 1.1 m -84.85 119.8 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.1 t -151.27 164.41 36.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.454 ' HB2' ' CB ' ' A' ' 112' ' ' ALA . 87.6 mt -107.83 167.34 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -166.93 121.28 0.84 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HB2' ' CD2' ' A' ' 115' ' ' LEU . 18.3 Cg_endo -75.03 117.15 4.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.557 1.82 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 m -102.49 -36.91 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.473 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 18.4 p -124.91 -151.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.6 m -112.7 -11.22 13.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -134.65 28.17 3.62 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -159.7 166.66 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.9 mt -152.79 142.07 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -89.52 145.21 25.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.47 HG22 ' CD2' ' A' ' 82' ' ' LEU . 21.5 t -134.22 113.51 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.469 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.0 OUTLIER -117.63 134.96 54.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.469 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.453 ' NE1' ' OE1' ' A' ' 78' ' ' GLU . 27.4 p90 -148.18 163.06 38.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 107.961 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.7 159.0 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -44.97 145.83 1.53 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.98 167.66 26.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.772 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -37.24 149.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -76.88 -44.16 33.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.81 -1.82 23.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.0 mt -118.15 3.91 12.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -70.27 -39.55 74.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 50.81 37.06 16.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.57 -161.73 16.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.2 p -89.96 171.94 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 0.756 . . . . 0.0 109.241 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.509 HG22 ' CZ ' ' A' ' 51' ' ' TYR . 3.0 mm -117.38 133.97 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -96.16 -28.29 14.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.57 ' HA3' ' CZ ' ' A' ' 98' ' ' PHE . . . 179.33 173.53 44.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.678 ' CE2' ' CB ' ' A' ' 97' ' ' ALA . 5.8 m-85 -129.16 151.95 49.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.417 ' NE2' HG23 ' A' ' 68' ' ' ILE . 54.9 mt-30 -106.86 128.85 54.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.486 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 4.9 mp -111.06 102.88 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.62 107.65 3.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.084 . . . . 0.0 111.015 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CE1' HD13 ' A' ' 82' ' ' LEU . 34.0 p90 -124.0 142.68 50.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 0.812 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 1.5 ptm180 -156.92 143.31 18.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.529 ' HA ' ' CD1' ' A' ' 91' ' ' TYR . 1.2 tt0 -51.79 146.52 7.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -93.97 34.68 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.58 167.35 37.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.37 3.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 39.1 57.11 2.13 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.04 2.22 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 39.92 52.46 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -113.46 81.24 0.29 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -39.9 129.46 2.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.783 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD1' ' HG2' ' A' ' 56' ' ' ARG . 14.5 m-85 -39.79 108.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.5 m -62.53 108.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.417 HG23 ' NE2' ' A' ' 52' ' ' GLN . 39.9 mm -86.08 144.41 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.486 ' CG2' ' HB ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -139.18 113.11 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -84.1 130.01 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 80' ' ' TYR . 7.3 ptm -144.62 148.42 34.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -72.26 150.18 43.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.38 109.16 20.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 77' ' ' SER . 46.3 p -52.24 -26.86 12.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.91 -136.01 4.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.555 1.159 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -61.57 -33.75 74.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.415 ' O ' ' OG1' ' A' ' 74' ' ' THR . 12.3 p -119.56 150.29 40.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.453 ' OE1' ' NE1' ' A' ' 36' ' ' TRP . 6.9 mp0 -141.46 161.95 36.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' A' ' 35' ' ' THR . 7.5 p -151.91 149.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.458 ' CD1' ' SD ' ' A' ' 71' ' ' MET . 13.1 t80 -146.61 149.1 32.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.17 107.16 13.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.574 HD13 ' CE1' ' A' ' 55' ' ' TYR . 2.7 mm? -77.38 106.16 8.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.3 OUTLIER -93.79 164.67 13.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 10.1 m-80 78.49 49.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.0 mt -112.86 162.98 15.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 176.9 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -100.75 133.59 44.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.415 ' N ' ' OG1' ' A' ' 114' ' ' THR . 6.1 t80 44.71 66.95 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.98 137.71 25.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -74.57 120.97 20.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.529 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 9.9 m-85 -119.81 123.31 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.12 126.03 8.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.534 ' CG1' ' CB ' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -129.2 164.11 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.6 122.36 52.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 96' ' ' GLN . 39.6 t -89.37 146.16 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.416 ' N ' HG13 ' A' ' 95' ' ' VAL . 2.5 pt20 -152.88 136.63 16.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.678 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . . . -93.53 131.8 38.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.57 ' CZ ' ' HA3' ' A' ' 50' ' ' GLY . 1.6 p90 -124.79 138.71 54.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.411 ' ND2' ' HD3' ' A' ' 15' ' ' PRO . 25.1 p30 -122.23 178.5 4.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -27.68 64.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.422 ' HB1' ' N ' ' A' ' 14' ' ' ALA . . . -71.74 -21.79 61.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.84 -159.02 26.42 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.5 m -109.32 153.7 23.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.399 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.98 -162.81 21.16 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 164.9 32.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.3 157.93 16.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 108' ' ' SER . 2.4 p -85.85 167.07 15.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 107' ' ' SER . 0.9 OUTLIER -39.9 159.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -81.92 84.31 6.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.446 HD12 ' CD2' ' A' ' 24' ' ' LEU . 23.7 pt -68.79 169.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -153.16 173.55 15.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . 178.49 97.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.2 m -67.64 126.99 31.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 88' ' ' PHE . 4.9 p -55.85 171.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.4 OUTLIER -75.53 176.76 7.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.43 1.82 27.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.1 m 52.98 99.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.029 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.08 161.76 29.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.572 1.17 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 105.96 2.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 t -124.15 169.05 12.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.027 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.42 142.81 51.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.45 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.1 Cg_endo -75.04 138.63 23.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.36 23.99 12.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.91 146.16 10.78 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.46 14.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.513 ' HG3' HG12 ' A' ' 95' ' ' VAL . 18.3 Cg_endo -75.02 161.9 37.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.6 mtp -103.65 178.36 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' THR . 49.6 t0 48.32 30.75 2.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.59 HG12 HD11 ' A' ' 110' ' ' ILE . 22.0 t -76.57 110.62 12.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 t -154.62 158.61 39.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.016 ' CD2' HG22 ' A' ' 34' ' ' VAL . 56.3 mt -107.01 160.18 15.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -159.06 118.23 1.72 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.563 ' HB2' HD13 ' A' ' 115' ' ' LEU . 18.3 Cg_endo -74.97 117.84 5.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.792 HG23 HG23 ' A' ' 28' ' ' THR . 3.0 m -102.78 -36.47 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.792 HG23 HG23 ' A' ' 27' ' ' VAL . 13.0 p -121.2 -144.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.433 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -107.95 -47.25 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -110.92 42.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.245 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.39 151.86 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.056 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.569 HD11 HG23 ' A' ' 114' ' ' THR . 86.2 mt -139.85 150.51 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -100.18 127.02 46.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.016 HG22 ' CD2' ' A' ' 24' ' ' LEU . 68.7 t -113.17 113.86 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.443 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.7 p -115.11 142.62 46.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.558 ' CD2' HG11 ' A' ' 95' ' ' VAL . 20.3 p90 -156.15 162.37 40.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 107.95 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -115.0 169.6 8.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.66 137.62 62.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 101.88 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? 46.86 -170.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -117.33 -44.89 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -76.0 -31.07 58.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 45' ' ' ASN . 58.9 mt -74.85 -33.25 62.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' LEU . 6.9 mt-30 -38.5 -31.36 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 43' ' ' LEU . 97.5 m-20 41.28 60.26 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.77 166.88 42.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 48' ' ' ILE . 71.5 t -52.04 166.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.559 HG21 ' CE1' ' A' ' 51' ' ' TYR . 5.1 mm -116.45 137.17 51.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -83.86 -31.96 25.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.58 178.79 41.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 1.008 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 6.8 m-85 -131.49 164.35 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 0.738 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.437 ' CD ' HG21 ' A' ' 68' ' ' ILE . 15.6 mt-30 -113.64 129.65 56.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.65 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.0 mp -113.92 98.67 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.449 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -95.34 119.57 6.22 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.617 ' CD1' HD22 ' A' ' 82' ' ' LEU . 23.4 p90 -129.74 145.24 51.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.571 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -156.44 146.12 20.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.543 ' HA ' ' CE1' ' A' ' 91' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 56' ' ' ARG . 14.0 m-85 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.523 0.201 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.424 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 45.6 m -64.36 107.0 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.454 HD13 ' HA ' ' A' ' 68' ' ' ILE . 27.5 mm -84.56 145.25 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -135.89 118.16 21.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 71' ' ' MET . 2.1 tt0 -80.6 140.71 35.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.427 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 3.6 ppp? -149.32 178.38 8.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.416 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -117.37 151.87 36.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.29 100.51 11.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.3 p -60.8 -39.23 88.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.07 -144.57 4.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.32 -47.9 72.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.4 p -98.28 143.33 28.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.444 ' OE1' ' CE1' ' A' ' 51' ' ' TYR . 3.7 mt-10 -135.21 154.38 51.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.443 ' CG2' HG22 ' A' ' 35' ' ' THR . 10.3 p -150.31 150.89 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.26 121.21 10.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.7 m -86.23 100.6 12.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.65 HD11 ' CG2' ' A' ' 53' ' ' ILE . 11.5 mt -78.15 107.64 10.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.37 -175.66 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 62.06 57.92 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.44 HD12 HG13 ' A' ' 32' ' ' ILE . 38.6 mt -117.18 -176.57 3.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.18 177.8 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -100.13 128.72 46.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.356 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.8 t80 38.3 63.58 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.86 149.21 43.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -74.9 137.1 41.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 57' ' ' GLU . 5.4 m-85 -139.93 137.49 34.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.6 124.61 6.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.625 HG13 HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -131.21 157.94 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.79 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.406 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 16.5 m -126.05 163.22 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.558 HG11 ' CD2' ' A' ' 36' ' ' TRP . 25.1 t -134.81 134.67 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -143.7 143.92 31.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 1.008 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.48 123.09 34.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 2.9 p90 -120.79 129.01 53.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 102' ' ' GLY . 14.0 p30 -122.9 178.3 5.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -64.97 -26.68 68.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.57 -26.21 63.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.422 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 148.52 -171.15 28.95 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.533 1.145 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.9 m -109.55 160.24 16.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.15 -171.52 17.39 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.33 31.5 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.461 1.769 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.9 p -87.46 172.71 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.49 162.46 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.58 113.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -45.52 124.3 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.59 HD11 HG12 ' A' ' 22' ' ' VAL . 1.6 pt -112.33 -178.31 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 9.4 p-10 -152.65 172.91 15.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.543 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . 177.85 99.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.2 m -64.79 116.45 6.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.569 HG23 HD11 ' A' ' 32' ' ' ILE . 11.7 p -49.41 157.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.563 HD13 ' HB2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.96 143.61 29.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -114.61 46.27 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.94 140.32 4.62 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.79 15.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 158.51 42.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.4 ' O ' ' N ' ' A' ' 37' ' ' LYS . 47.8 mmm -102.18 172.6 6.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 57.6 t0 53.31 21.15 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.927 HG11 ' OG ' ' A' ' 107' ' ' SER . 89.4 t -65.92 106.2 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 t -150.41 154.57 37.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.963 ' CD2' HG22 ' A' ' 34' ' ' VAL . 26.3 mt -106.86 165.43 11.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -164.86 118.07 0.96 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 107.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.426 1.75 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.811 HG23 HG23 ' A' ' 28' ' ' THR . 3.5 m -92.98 -34.29 5.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.811 HG23 HG23 ' A' ' 27' ' ' VAL . 13.5 p -120.21 -154.04 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.43 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 p -111.84 -12.03 13.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -135.48 18.25 3.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 6.4 t -146.93 166.41 26.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.7 mt -147.76 147.71 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -100.83 110.26 22.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.963 HG22 ' CD2' ' A' ' 24' ' ' LEU . 62.4 t -99.14 108.68 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -114.07 138.96 49.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.799 ' CE3' HG11 ' A' ' 95' ' ' VAL . 14.3 p90 -148.07 -176.93 5.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 108.028 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.2 mtpt -136.73 162.15 33.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -48.27 141.79 8.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 167.77 26.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.673 ' HB2' HD12 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -37.94 139.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -51.93 45.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -64.78 -12.86 52.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.673 HD12 ' HB2' ' A' ' 40' ' ' LYS . 95.4 mt -104.16 -20.39 13.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 40' ' ' LYS . 4.9 mt-30 -54.29 -35.68 62.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 50.24 40.11 21.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.83 171.0 20.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.0 m -53.92 -178.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.556 HG21 ' CE1' ' A' ' 51' ' ' TYR . 5.5 mm -128.04 150.03 33.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -100.24 -31.12 11.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.405 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 173.77 177.1 42.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 1.003 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.0 m-85 -132.78 150.62 52.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -101.08 129.96 47.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.846 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.1 mp -108.94 96.73 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.435 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -95.58 123.66 7.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.809 ' CB ' HG22 ' A' ' 93' ' ' VAL . 32.0 p90 -145.87 143.83 29.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.567 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 2.0 ptm180 -156.64 148.16 22.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.364 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 15.1 m-85 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.492 0.187 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.606 ' OG ' ' CE1' ' A' ' 55' ' ' TYR . 54.2 p -61.84 109.15 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.968 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.435 HD13 ' CA ' ' A' ' 54' ' ' GLY . 38.2 mm -88.17 145.03 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.588 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -137.63 117.16 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 71' ' ' MET . 3.2 tt0 -80.56 140.62 35.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 2.0 ppp? -148.15 -176.65 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 111.006 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.484 ' HE3' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -122.89 149.7 43.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.88 130.56 37.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.376 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.484 HG22 ' HE3' ' A' ' 72' ' ' LYS . 69.8 p -111.53 27.1 9.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.418 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.39 -158.49 23.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.1 -28.55 62.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.767 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.1 p -112.46 141.13 46.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.593 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 2.6 mt-10 -136.07 153.77 51.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 34' ' ' VAL . 12.1 p -148.26 149.82 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -145.06 119.93 9.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.9 m -85.63 94.17 9.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.454 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.846 HD11 ' CG2' ' A' ' 53' ' ' ILE . 27.3 mt -72.41 106.73 4.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.85 -176.31 3.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.724 ' O ' HD23 ' A' ' 85' ' ' LEU . 12.1 m-20 62.59 65.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.724 HD23 ' O ' ' A' ' 84' ' ' ASN . 11.4 mt -130.25 177.01 7.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 170.12 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -99.11 136.94 38.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.5 t80 42.22 55.94 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.57 148.78 47.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -74.78 135.06 41.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -141.97 130.88 23.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.25 132.61 11.2 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.809 HG22 ' CB ' ' A' ' 55' ' ' TYR . 24.3 t -126.72 154.22 36.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 0.734 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.44 120.12 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.799 HG11 ' CE3' ' A' ' 36' ' ' TRP . 17.9 t -98.62 146.04 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -150.37 143.1 24.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 1.003 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.19 117.75 29.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -114.93 133.81 55.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.534 ' OD1' HG23 ' A' ' 48' ' ' ILE . 0.4 OUTLIER -124.22 170.59 10.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -25.88 64.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.18 -23.17 60.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.43 -172.64 29.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.2 m -108.58 148.69 29.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -101.84 -176.29 28.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.431 1.082 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 154.63 42.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.418 1.746 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.71 166.36 13.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.927 ' OG ' HG11 ' A' ' 22' ' ' VAL . 4.2 p -83.35 161.66 21.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.1 119.01 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -41.19 122.69 1.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.591 HD11 HG12 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -110.77 -172.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -151.05 173.45 14.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -179.03 77.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.9 m -47.78 112.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.0 p -48.21 148.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 35.4 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 123.08 7.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.554 ' O ' HD22 ' A' ' 43' ' ' LEU . 47.7 m-20 -93.64 46.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.647 ' HA3' HD13 ' A' ' 43' ' ' LEU . . . 174.41 141.51 3.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.16 21.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.51 1.795 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 18.1 Cg_endo -75.07 159.62 40.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.773 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' LYS . 6.0 mtp -99.85 174.58 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.2 t0 53.33 32.82 14.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.691 HG11 ' OG ' ' A' ' 107' ' ' SER . 33.9 t -74.38 106.89 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 t -153.33 154.64 34.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.048 ' CD2' HG22 ' A' ' 34' ' ' VAL . 18.9 mt -107.14 161.47 14.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.15 118.33 1.71 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.241 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.805 HG23 HG23 ' A' ' 28' ' ' THR . 4.0 m -109.26 -34.73 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.805 HG23 HG23 ' A' ' 27' ' ' VAL . 27.3 p -117.58 -164.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.0 m -90.56 -42.88 10.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -119.61 44.28 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.506 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.6 OUTLIER -164.12 148.34 9.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.954 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.527 HD11 ' CG2' ' A' ' 114' ' ' THR . 93.3 mt -134.63 155.84 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -104.96 125.59 51.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.048 HG22 ' CD2' ' A' ' 24' ' ' LEU . 85.6 t -110.43 111.62 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -114.44 142.47 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.69 ' CE3' HG11 ' A' ' 95' ' ' VAL . 13.6 p90 -153.68 178.36 9.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' MET . 2.5 mtpt -132.84 163.29 29.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.67 136.49 1.97 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.06 103.48 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER 45.66 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -117.4 -49.25 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -91.46 33.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.647 HD13 ' HA3' ' A' ' 17' ' ' GLY . 14.0 mt -130.33 -44.96 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' LEU . 47.0 mt-30 -36.75 -38.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 56.75 52.64 9.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.54 169.65 24.63 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.445 1.091 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.47 HG22 ' H ' ' A' ' 48' ' ' ILE . 9.8 p -54.25 168.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.862 HG21 ' CE1' ' A' ' 51' ' ' TYR . 7.4 mm -117.04 142.9 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.57 -31.22 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.578 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 175.81 -179.99 46.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.976 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 18.6 m-85 -137.31 161.04 37.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.743 ' C ' HD12 ' A' ' 53' ' ' ILE . 37.7 mt-30 -111.12 158.26 19.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.882 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.6 mp -139.57 101.98 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.425 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -95.8 115.41 5.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.501 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 34.9 p90 -126.94 146.26 50.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.736 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.573 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.97 132.29 9.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 3.5 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 15.2 m-85 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.442 0.163 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.501 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 16.9 m -72.46 107.29 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.443 ' HA ' HD13 ' A' ' 68' ' ' ILE . 31.3 mm -84.47 147.26 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -142.99 112.65 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -82.07 135.57 35.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.262 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.55 ' HB3' ' CE1' ' A' ' 80' ' ' TYR . 8.2 ptm -144.53 151.5 39.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.37 160.57 32.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.15 129.23 40.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.9 p -103.08 39.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.85 -155.43 17.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.89 -42.16 97.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.8 p -97.46 131.75 43.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.495 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 12.3 mp0 -135.61 145.42 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 34' ' ' VAL . 11.8 p -142.42 149.61 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 71' ' ' MET . 25.9 t80 -139.36 129.69 25.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.5 m -85.29 100.62 11.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.882 HD11 ' CG2' ' A' ' 53' ' ' ILE . 28.6 mt -81.27 108.33 14.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.48 -174.37 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 61.7 54.87 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.5 mt -113.98 -179.02 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 155.09 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -79.98 134.7 36.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.1 t80 39.99 66.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.79 142.11 25.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -74.69 140.78 44.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 6.4 m-85 -141.31 123.75 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.19 116.8 5.56 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.56 HG13 HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -127.01 162.07 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.474 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 31.6 m -126.68 178.71 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.69 HG11 ' CE3' ' A' ' 36' ' ' TRP . 17.1 t -147.71 141.19 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -151.45 147.85 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.976 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.41 136.75 32.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 3.5 p90 -129.49 131.12 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -124.29 178.37 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -65.25 -16.27 63.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.29 -26.04 33.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.239 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.98 -164.14 29.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 15.8 m -114.05 156.34 24.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -104.08 179.27 24.94 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 156.58 43.22 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.9 p -75.46 173.14 11.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.691 ' OG ' HG11 ' A' ' 22' ' ' VAL . 5.6 p -108.31 161.54 14.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.96 116.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -50.63 128.15 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.654 HD12 ' HG ' ' A' ' 24' ' ' LEU . 2.5 pt -111.18 -178.78 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -152.43 159.44 43.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -171.99 96.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.1 m -66.63 114.29 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.527 ' CG2' HD11 ' A' ' 32' ' ' ILE . 26.4 p -46.94 155.74 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.42 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.99 149.12 36.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -118.94 44.42 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.1 146.15 5.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.4 14.57 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 165.99 30.1 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.8 mtp -103.46 178.53 4.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t70 47.92 31.97 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.838 HG12 HD11 ' A' ' 110' ' ' ILE . 45.1 t -77.24 108.32 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.1 t -148.83 159.19 44.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.004 ' CD2' HG22 ' A' ' 34' ' ' VAL . 71.3 mt -110.6 165.44 11.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -166.64 118.42 0.78 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.478 ' HB2' ' CD1' ' A' ' 115' ' ' LEU . 18.2 Cg_endo -75.05 109.95 3.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.797 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 m -97.59 -33.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.484 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -130.51 172.53 11.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.422 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -80.5 -12.89 59.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -134.34 39.64 3.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -171.17 168.52 6.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.016 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.498 HG13 HD12 ' A' ' 85' ' ' LEU . 41.8 mt -153.74 140.94 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -91.83 132.38 36.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.004 HG22 ' CD2' ' A' ' 24' ' ' LEU . 94.4 t -124.18 114.36 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.46 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.9 p -116.16 143.61 45.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.792 ' CD2' HG11 ' A' ' 95' ' ' VAL . 22.5 p90 -155.59 161.78 40.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -114.69 173.72 6.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.431 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -57.23 138.37 80.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 97.74 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.515 1.797 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.569 ' HB2' HD12 ' A' ' 43' ' ' LEU . 0.9 OUTLIER 44.61 -167.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -116.79 -45.85 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.35 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.99 -20.57 57.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 40' ' ' LYS . 75.2 mt -82.14 -30.14 31.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -42.4 -37.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 45.43 44.61 9.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.1 157.97 23.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.0 t -48.85 157.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.513 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.2 mm -107.28 150.35 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -100.26 -33.68 10.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 175.9 176.42 44.1 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.993 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 6.8 m-85 -131.9 144.98 51.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -93.66 125.05 38.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.905 HG21 HD21 ' A' ' 82' ' ' LEU . 4.6 mp -105.71 95.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.489 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -88.96 127.06 8.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.573 ' CE1' HD12 ' A' ' 82' ' ' LEU . 52.9 p90 -141.16 139.35 33.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.3 OUTLIER -156.49 155.22 31.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.537 ' HA ' ' CE1' ' A' ' 91' ' ' TYR . 1.3 tt0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.565 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 11.2 m-85 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.52 0.2 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -64.39 105.62 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.489 HD13 ' CA ' ' A' ' 54' ' ' GLY . 30.7 mm -85.45 152.4 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -144.51 116.85 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.58 140.1 35.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.438 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -148.32 -176.26 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.438 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -120.82 148.43 44.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.0 111.43 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.7 p -67.9 -38.92 83.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.41 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.43 -140.63 3.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -20.23 61.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 80.9 p -129.16 143.62 50.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 12.5 mp0 -134.6 153.13 52.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.46 ' CG2' HG22 ' A' ' 35' ' ' THR . 9.4 p -143.48 150.8 17.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.479 ' CE1' HD13 ' A' ' 82' ' ' LEU . 5.1 t80 -146.52 143.74 29.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 3.3 m -116.09 102.32 9.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.905 HD21 HG21 ' A' ' 53' ' ' ILE . 2.9 mm? -75.01 106.51 6.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.78 172.52 8.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.8 m120 67.23 60.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.498 HD12 HG13 ' A' ' 32' ' ' ILE . 52.6 mt -120.41 145.85 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -57.8 -179.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 88' ' ' PHE . 36.6 mtpt -104.21 141.09 36.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 87' ' ' LYS . 9.4 t80 35.02 40.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.424 ' C ' HG23 ' A' ' 113' ' ' THR . . . -114.28 141.46 47.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -74.59 128.89 36.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.537 ' CE1' ' HA ' ' A' ' 57' ' ' GLU . 14.8 m-85 -131.67 145.02 51.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -120.95 110.09 1.65 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.564 HG22 ' CB ' ' A' ' 55' ' ' TYR . 85.4 t -101.84 155.79 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.774 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 m -137.09 143.51 34.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.792 HG11 ' CD2' ' A' ' 36' ' ' TRP . 14.7 t -122.2 145.15 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 12.0 pt20 -153.11 144.88 23.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.993 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.2 122.14 33.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 2.2 p90 -123.06 129.95 52.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -124.23 172.71 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -25.87 64.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.18 -24.69 63.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.32 -169.88 28.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.44 HG23 ' CB ' ' A' ' 98' ' ' PHE . 6.9 m -112.3 155.97 23.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 110.435 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.38 -174.1 17.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.539 1.15 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.51 42.77 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.469 1.773 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -99.61 172.98 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.96 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.605 ' OG ' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -83.06 160.21 21.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -57.61 115.43 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 108' ' ' SER . 24.8 tt0 -38.16 122.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.838 HD11 HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -95.21 -166.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -151.52 146.32 25.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -169.09 90.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.424 HG23 ' C ' ' A' ' 89' ' ' ALA . 54.7 m -69.05 108.47 3.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.47 HG22 HD11 ' A' ' 32' ' ' ILE . 74.8 p -38.95 158.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.435 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.64 HD22 ' H ' ' A' ' 115' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.16 42.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.49 ' O ' HD13 ' A' ' 43' ' ' LEU . 5.0 m-20 -123.95 55.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.85 143.72 3.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.96 17.29 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.774 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.402 ' HG2' ' HA ' ' A' ' 39' ' ' PRO . 39.6 mmm -109.72 176.03 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' THR . 35.0 t70 51.73 25.45 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.752 HG11 ' OG ' ' A' ' 107' ' ' SER . 46.8 t -68.5 108.0 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -152.48 157.08 40.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.971 ' CD2' HG22 ' A' ' 34' ' ' VAL . 33.6 mt -107.87 166.69 10.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -166.86 117.3 0.74 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 109.84 3.01 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -93.97 -33.75 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.431 ' CB ' ' HG ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -131.7 -176.79 4.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -59.54 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.74 54.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.431 ' HG ' ' CB ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -174.17 131.0 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.961 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' THR . 96.5 mt -122.24 154.32 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -109.45 129.59 55.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.971 HG22 ' CD2' ' A' ' 24' ' ' LEU . 48.9 t -116.06 113.32 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 21' ' ' ASP . 1.2 p -113.03 137.76 50.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.61 ' CD2' HG11 ' A' ' 95' ' ' VAL . 22.7 p90 -151.32 161.34 42.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -116.33 156.64 26.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -41.5 143.94 0.81 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.03 172.05 17.12 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.449 1.763 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -38.09 131.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -61.07 -54.61 42.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -61.19 -14.33 24.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 16' ' ' ASP . 79.8 mt -113.71 48.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -113.84 -40.32 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 55.97 41.35 29.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.77 -176.45 19.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.7 t -70.62 159.56 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.788 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.5 mm -105.73 141.67 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 49' ' ' ARG . 5.6 mmm180 -88.51 -44.83 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.425 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . -172.97 172.67 45.25 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.14 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.93 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.0 m-85 -129.77 136.42 49.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -85.93 133.83 33.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.734 HG21 HD21 ' A' ' 82' ' ' LEU . 4.2 mp -112.35 96.4 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 93' ' ' VAL . . . -92.07 108.3 3.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.467 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 28.1 p90 -121.97 143.11 49.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.582 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -156.64 143.29 18.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.49 ' HA ' ' CD1' ' A' ' 91' ' ' TYR . 1.5 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 11.8 m-85 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.499 0.19 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.45 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 66.0 m -64.49 104.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 39.3 mm -85.36 147.76 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.482 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -144.05 117.47 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -80.34 138.47 36.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 3.0 ppp? -145.22 -175.88 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.405 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -123.93 150.45 44.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.51 119.71 21.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.5 p -95.96 27.36 3.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.8 -146.15 16.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -81.13 -29.13 34.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 109.36 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.5 p -110.11 138.29 46.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.475 ' OE1' ' CE1' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -137.02 146.68 45.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.347 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 11.1 p -142.1 151.36 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.596 ' CD1' HD13 ' A' ' 82' ' ' LEU . 3.4 t80 -142.82 135.8 28.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 24.3 m -106.14 101.26 10.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.734 HD21 HG21 ' A' ' 53' ' ' ILE . 2.6 mm? -78.44 106.66 10.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.05 -177.47 4.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 61.52 48.52 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.073 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.5 mt -107.98 167.45 9.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -76.91 179.11 6.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' PHE . 7.1 mttm -101.04 130.51 47.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' LYS . 7.4 t80 37.58 63.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 111.042 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.52 145.97 43.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -74.39 133.25 42.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.49 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 4.3 m-85 -135.1 134.06 39.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.35 125.28 6.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.617 HG13 HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -126.03 161.3 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 109.357 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 6.2 m -137.9 125.23 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.61 HG11 ' CD2' ' A' ' 36' ' ' TRP . 19.0 t -97.48 146.13 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -146.9 145.74 29.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.93 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.53 121.59 33.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 1.0 OUTLIER -125.34 131.47 53.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.527 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 21.2 p30 -124.17 177.25 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -62.6 -19.54 63.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.527 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . . . -78.61 -25.59 45.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 151.03 -159.59 28.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.409 HG23 ' CB ' ' A' ' 98' ' ' PHE . 25.4 m -124.75 147.33 48.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.1 -169.57 26.05 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.91 42.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.5 1.789 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -91.01 166.93 12.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.752 ' OG ' HG11 ' A' ' 22' ' ' VAL . 93.2 p -87.64 157.1 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.12 162.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -87.75 124.06 33.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.654 HD11 HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -108.91 -172.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -150.98 158.09 43.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.628 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -169.32 89.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.4 m -59.0 131.71 51.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.8 p -61.59 176.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 129.58 12.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.35 32.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -171.27 146.71 9.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.81 13.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.48 26.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.29 170.8 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 t0 48.27 44.23 19.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.541 HG11 ' OG ' ' A' ' 107' ' ' SER . 89.1 t -82.07 106.23 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.222 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 t -150.7 162.66 40.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.042 ' CD2' HG22 ' A' ' 34' ' ' VAL . 30.1 mt -117.01 157.98 24.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -161.04 117.77 1.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 121.15 6.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.6 HG23 HG23 ' A' ' 28' ' ' THR . 2.6 m -100.28 -34.12 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.6 HG23 HG23 ' A' ' 27' ' ' VAL . 64.5 p -117.78 -146.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.8 m -112.82 -24.47 9.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -128.39 38.38 3.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 5.8 t -163.5 166.9 22.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.03 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 81' ' ' THR . 58.5 mt -148.73 156.91 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -107.87 115.09 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.042 HG22 ' CD2' ' A' ' 24' ' ' LEU . 52.9 t -102.09 107.6 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.446 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.1 p -110.04 137.16 48.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.785 ' CD2' HG11 ' A' ' 95' ' ' VAL . 25.8 p90 -151.91 160.71 43.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 107.97 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -117.57 155.71 29.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.18 139.86 0.99 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.96 176.14 10.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.784 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.555 ' HB2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -38.58 142.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -56.4 5.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.01 -14.3 15.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' ' 40' ' ' LYS . 87.5 mt -101.9 -34.63 9.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' LYS . 3.6 mt-30 -37.73 -32.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . 56.0 m-20 49.56 48.53 21.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.03 176.77 34.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.51 HG22 ' N ' ' A' ' 48' ' ' ILE . 14.9 p -58.03 169.15 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.51 ' N ' HG22 ' A' ' 47' ' ' VAL . 4.7 mm -119.63 131.05 73.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -78.34 -27.39 47.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 173.61 -177.27 46.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.981 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 14.4 m-85 -135.46 163.26 30.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 0.736 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.527 ' C ' HD12 ' A' ' 53' ' ' ILE . 34.8 mt-30 -114.22 145.67 41.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.845 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.4 mp -127.36 97.19 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 93' ' ' VAL . . . -90.73 113.61 4.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.489 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 22.8 p90 -127.18 145.65 50.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 0.712 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.566 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 1.3 ptt180 -157.08 135.27 11.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.508 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 2.5 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.566 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 8.1 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.476 0.179 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.0 m -68.8 104.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.458 ' CG2' ' NE2' ' A' ' 52' ' ' GLN . 20.6 mm -84.4 123.88 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -124.58 112.82 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.54 137.18 32.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.427 ' HE1' ' HB3' ' A' ' 78' ' ' GLU . 1.6 ppp? -135.78 -177.03 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.417 ' O ' ' SD ' ' A' ' 71' ' ' MET . 2.4 mttm -97.03 155.65 16.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.38 101.79 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.413 ' H ' HG23 ' A' ' 74' ' ' THR . 55.3 p -50.19 -44.43 52.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.411 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.79 -126.81 1.06 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.78 -43.72 75.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.9 p -108.77 146.05 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.975 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.445 ' OE1' ' NE1' ' A' ' 36' ' ' TRP . 3.2 mp0 -138.49 147.85 43.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.446 ' CG2' HG22 ' A' ' 35' ' ' THR . 11.0 p -143.08 150.59 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -145.54 138.93 26.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 3.8 m -102.51 99.98 10.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.845 HD11 ' CG2' ' A' ' 53' ' ' ILE . 14.4 mt -77.62 106.37 9.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.28 -175.51 3.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 62.59 58.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.5 mt -116.8 -174.47 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.64 173.96 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -98.39 107.81 20.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.6 t80 58.69 72.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.02 150.0 33.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -74.6 130.42 39.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.508 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 2.1 m-85 -131.62 131.21 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -114.6 108.58 2.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.686 HG13 HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -117.5 156.23 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.5 m -125.79 152.48 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.785 HG11 ' CD2' ' A' ' 36' ' ' TRP . 23.0 t -122.3 139.75 48.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -148.28 144.99 27.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.981 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.23 132.38 36.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 1.8 p90 -127.38 133.65 50.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.567 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 16.5 p30 -124.11 178.5 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -66.37 -15.75 63.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.567 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . . . -82.68 -25.7 32.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 150.29 -172.71 30.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 111.06 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.7 m -109.75 157.82 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.18 -176.08 26.46 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.6 41.87 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.804 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.96 152.1 38.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.541 ' OG ' HG11 ' A' ' 22' ' ' VAL . 83.0 p -81.45 169.43 17.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.13 118.3 6.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.84 124.52 20.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.525 HG22 ' H ' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -109.29 -163.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.525 ' H ' HG22 ' A' ' 110' ' ' ILE . 34.6 p30 -148.76 152.72 37.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -166.12 98.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.3 m -70.81 123.63 22.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 30.0 p -61.78 152.51 31.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.367 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.3 mt . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.404 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.1 Cg_endo -74.99 144.51 30.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.504 1.791 . . . . 0.0 110.967 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -114.86 37.95 3.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.96 139.96 5.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.81 13.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.3 mtp -108.9 173.14 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 49.83 40.86 21.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.739 HG11 ' OG ' ' A' ' 107' ' ' SER . 36.2 t -81.05 106.38 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -150.85 154.88 38.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.434 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.913 ' CD2' HG22 ' A' ' 34' ' ' VAL . 70.1 mt -105.69 165.82 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -164.52 118.47 1.0 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 114.52 4.04 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.458 1.768 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.742 HG23 HG23 ' A' ' 28' ' ' THR . 5.2 m -93.71 -37.82 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.742 HG23 HG23 ' A' ' 27' ' ' VAL . 26.2 p -126.25 -144.78 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.384 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.64 -23.72 10.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -126.25 38.19 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 11.6 t -168.9 156.53 7.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.705 HG13 HD12 ' A' ' 85' ' ' LEU . 63.0 mt -142.5 148.69 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -98.02 117.94 33.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.913 HG22 ' CD2' ' A' ' 24' ' ' LEU . 77.6 t -107.08 105.05 18.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.408 HG22 ' HB ' ' A' ' 79' ' ' VAL . 1.2 p -109.8 139.1 45.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.55 ' CH2' HD11 ' A' ' 53' ' ' ILE . 36.2 p90 -148.87 159.16 44.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 107.986 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 14.9 mttt -113.65 153.35 29.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 76' ' ' ASP . . . -39.93 142.89 0.64 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -74.97 174.77 12.21 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.816 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 39' ' ' PRO . 1.0 OUTLIER -39.56 148.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -77.59 -45.84 24.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.67 -11.17 60.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 mt -105.01 -13.87 15.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.35 -45.97 65.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 54.14 47.85 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.92 159.31 29.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.5 HG22 ' H ' ' A' ' 48' ' ' ILE . 11.7 p -48.75 170.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.5 ' H ' HG22 ' A' ' 47' ' ' VAL . 4.1 mm -116.33 137.78 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -87.15 -31.94 20.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.422 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 177.94 174.42 44.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.766 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 5.7 m-85 -129.81 143.23 50.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -93.5 130.24 39.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.881 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.8 mp -114.87 96.46 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -93.14 115.58 4.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 21.1 p90 -126.94 143.69 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -156.62 136.11 12.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.251 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 15.9 m-85 . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.493 0.187 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.544 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 50.3 m -70.07 106.73 3.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.2 mm -86.58 135.65 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.546 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -127.14 118.79 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -80.64 139.45 36.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.441 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 4.2 ppp? -147.32 178.9 8.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.518 ' NZ ' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -121.03 146.98 46.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.03 115.61 22.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.518 HG22 ' NZ ' ' A' ' 72' ' ' LYS . 43.9 p -72.36 -40.15 67.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 110.441 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.23 -128.37 1.04 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -83.75 -39.58 19.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.786 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 p -109.78 144.98 37.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 19.7 mm-40 -134.4 162.48 32.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.408 ' HB ' HG22 ' A' ' 35' ' ' THR . 8.4 p -149.85 152.3 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -146.34 123.3 11.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -88.2 93.7 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.881 HD11 ' CG2' ' A' ' 53' ' ' ILE . 15.8 mt -75.42 105.95 6.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.98 179.04 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.849 ' O ' HD23 ' A' ' 85' ' ' LEU . 6.9 m-80 63.88 68.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.849 HD23 ' O ' ' A' ' 84' ' ' ASN . 10.1 mt -134.59 133.25 40.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 145.26 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -78.27 140.92 38.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.2 t80 44.32 62.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.03 141.67 23.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -74.85 125.06 28.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -120.67 124.13 44.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.15 119.55 6.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.772 HG13 HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -131.11 159.91 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.434 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 35.9 m -127.29 171.37 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.483 HG11 ' CD2' ' A' ' 36' ' ' TRP . 21.4 t -142.2 139.02 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -148.32 144.59 27.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.766 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.1 117.72 29.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 2.4 p90 -113.16 131.46 55.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -124.31 178.19 5.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -20.54 66.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.69 -16.44 57.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.18 -162.48 27.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.7 m -120.28 148.8 43.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 110.446 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -101.91 -178.54 27.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 155.66 43.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.15 177.34 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.02 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.739 ' OG ' HG11 ' A' ' 22' ' ' VAL . 15.3 p -102.39 165.62 11.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.73 121.99 2.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -52.3 117.88 3.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.674 HD12 ' HG ' ' A' ' 24' ' ' LEU . 4.2 pt -105.08 -177.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 22.8 m-80 -152.87 173.81 14.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -179.3 101.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.5 m -66.54 114.17 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.439 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.433 ' CG2' HD11 ' A' ' 32' ' ' ILE . 10.5 p -49.39 157.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 60.6 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 18.2 Cg_endo -75.03 108.89 2.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -84.62 50.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.702 ' HA3' HD13 ' A' ' 43' ' ' LEU . . . 177.89 138.48 3.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 168.99 23.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 155.35 43.26 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 41.9 mtp -101.59 177.22 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 35' ' ' THR . 13.1 t0 54.31 27.02 7.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.85 HG12 HD13 ' A' ' 110' ' ' ILE . 21.9 t -75.96 111.01 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -153.07 149.31 27.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.388 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.787 HD22 HG22 ' A' ' 34' ' ' VAL . 68.4 mt -100.44 164.69 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -167.06 118.84 0.75 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.29 6.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.819 HG23 HG23 ' A' ' 28' ' ' THR . 2.7 m -111.37 -35.48 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.819 HG23 HG23 ' A' ' 27' ' ' VAL . 7.9 p -117.57 -170.41 1.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.1 m -90.58 -21.42 21.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -136.53 47.45 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -168.16 166.71 12.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.6 mt -151.05 142.2 16.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -93.08 123.11 36.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.94 ' O ' HG23 ' A' ' 79' ' ' VAL . 50.4 t -111.78 128.15 68.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 21' ' ' ASP . 1.1 p -129.33 145.98 51.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.808 ' CD2' HG11 ' A' ' 95' ' ' VAL . 15.1 p90 -159.3 165.89 32.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 107.978 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.7 177.5 5.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -53.56 136.13 53.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 100.27 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.801 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? 46.48 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.31 -49.38 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -76.42 -4.33 41.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.702 HD13 ' HA3' ' A' ' 17' ' ' GLY . 53.8 mt -98.43 -32.41 11.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -42.79 -39.86 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 44.97 45.32 8.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.79 165.27 21.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 m -51.83 175.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.345 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.473 HG22 ' H ' ' A' ' 50' ' ' GLY . 4.8 mm -124.93 144.93 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -94.69 -22.02 18.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.473 ' H ' HG22 ' A' ' 48' ' ' ILE . . . 161.9 -176.82 38.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 1.088 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 8.4 m-85 -136.46 156.63 48.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.41 ' NE2' HG21 ' A' ' 68' ' ' ILE . 26.3 mt-30 -103.43 130.71 50.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.926 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.5 mp -111.39 100.75 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -102.29 136.34 12.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.664 ' CE1' HD22 ' A' ' 82' ' ' LEU . 4.0 p90 -152.85 145.56 24.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.576 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.51 158.51 37.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.576 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 10.3 m-85 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.524 0.202 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.9 m -62.15 109.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.968 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.41 HG21 ' NE2' ' A' ' 52' ' ' GLN . 32.1 mm -88.02 138.36 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -128.35 116.49 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 71' ' ' MET . 1.6 tt0 -80.94 138.67 36.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.244 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.421 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 1.5 ppp? -147.1 -178.2 6.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -115.19 156.92 24.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.78 113.62 25.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 38.8 p -85.88 1.94 47.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 159.3 -147.16 14.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.68 -38.37 29.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 83.5 p -104.69 123.72 48.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.582 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 2.2 mp0 -117.98 157.69 26.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 34' ' ' VAL . 7.2 p -150.76 147.17 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -144.65 124.88 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 m -86.21 95.88 9.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.926 HD11 ' CG2' ' A' ' 53' ' ' ILE . 16.2 mt -75.38 106.37 6.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.93 178.13 5.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.453 ' O ' HD23 ' A' ' 85' ' ' LEU . 7.8 m-20 70.48 60.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 84' ' ' ASN . 13.8 mt -123.43 175.01 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.25 177.32 6.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 88' ' ' PHE . 10.4 mtmt -99.67 137.78 37.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 87' ' ' LYS . 7.7 t80 35.78 57.59 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.52 148.56 50.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -74.95 128.51 35.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -133.74 123.24 24.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.36 129.87 10.05 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.585 HG22 ' CB ' ' A' ' 55' ' ' TYR . 47.5 t -125.31 142.37 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.7 m -128.5 126.04 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.808 HG11 ' CD2' ' A' ' 36' ' ' TRP . 19.1 t -106.41 143.35 17.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -151.21 145.23 25.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 1.088 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.72 137.05 32.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 1.7 p90 -134.78 130.65 36.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.484 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 21.9 p30 -124.3 178.25 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -61.83 -23.17 66.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.484 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . . . -73.91 -26.1 60.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 150.38 -162.43 29.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.1 m -115.72 149.54 38.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -99.92 -179.39 30.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 164.58 32.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.0 p -93.28 162.56 13.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.478 ' OG ' HG11 ' A' ' 22' ' ' VAL . 2.2 p -93.52 166.87 12.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.48 ' O ' HG23 ' A' ' 110' ' ' ILE . 0.7 OUTLIER -40.61 125.86 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.985 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.71 85.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.85 HD13 HG12 ' A' ' 22' ' ' VAL . 28.6 pt -70.03 168.3 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.465 ' C ' HD12 ' A' ' 24' ' ' LEU . 8.8 p30 -148.06 170.86 16.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -174.44 102.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 83.3 m -68.61 107.49 2.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.7 p -41.45 160.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 110.383 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.446 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.446 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.1 Cg_endo -75.06 150.95 38.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -120.27 59.43 0.9 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.52 141.97 3.3 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.14 29.85 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.471 1.774 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.56 22.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 45.7 mmm -107.03 176.61 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t70 50.22 26.49 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.36 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.27 107.12 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.476 ' HA ' HD12 ' A' ' 110' ' ' ILE . 14.0 t -152.74 164.88 36.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.018 ' CD2' HG22 ' A' ' 34' ' ' VAL . 48.1 mt -117.69 162.24 18.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.97 117.74 0.73 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 119.53 5.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.685 HG23 HG23 ' A' ' 28' ' ' THR . 1.8 m -102.21 -33.37 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.685 HG23 HG23 ' A' ' 27' ' ' VAL . 20.6 p -119.37 -150.99 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.29 -22.27 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -132.01 25.23 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -152.82 143.7 22.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.969 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.423 HD11 ' CG2' ' A' ' 114' ' ' THR . 83.3 mt -126.2 160.39 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -108.91 113.61 26.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.018 HG22 ' CD2' ' A' ' 24' ' ' LEU . 93.1 t -102.47 112.19 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.416 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.5 p -115.19 142.95 45.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.395 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.622 ' CD2' HG11 ' A' ' 95' ' ' VAL . 31.4 p90 -155.85 164.62 38.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -125.28 153.59 43.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.264 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.21 142.39 0.73 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 168.6 24.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.781 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.59 131.13 2.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -50.95 -47.37 61.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.35 -22.53 66.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.4 mt -106.72 52.59 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -121.71 -47.52 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 60.58 62.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.21 168.0 44.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 48' ' ' ILE . 84.2 t -52.29 164.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.628 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.2 mm -115.1 133.34 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -81.64 -30.25 32.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.417 ' C ' ' CD2' ' A' ' 98' ' ' PHE . . . 172.08 179.26 42.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.899 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.0 m-85 -132.13 137.94 47.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -85.0 144.2 28.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.839 ' CG2' HD11 ' A' ' 82' ' ' LEU . 5.4 mp -126.33 95.22 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 93' ' ' VAL . . . -92.89 122.66 7.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.599 ' CD1' HD22 ' A' ' 82' ' ' LEU . 22.4 p90 -131.56 142.23 49.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.567 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.51 146.88 21.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.567 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 12.7 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.553 0.216 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.494 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 68.4 m -67.42 105.72 1.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.439 ' HA ' HD13 ' A' ' 68' ' ' ILE . 34.0 mm -83.94 142.43 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -135.2 115.12 17.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -80.35 139.59 36.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -146.27 179.93 7.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -115.72 152.65 32.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.39 121.15 26.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.2 p -97.94 15.13 24.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.48 -159.71 27.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.6 -30.42 68.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.742 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.4 p -109.99 138.01 46.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.598 ' OE2' ' CE1' ' A' ' 51' ' ' TYR . 2.3 mp0 -135.56 157.21 47.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 34' ' ' VAL . 10.3 p -150.23 152.71 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -145.11 122.89 11.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.2 m -87.57 93.59 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.839 HD11 ' CG2' ' A' ' 53' ' ' ILE . 31.2 mt -75.51 106.93 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -103.2 -170.62 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 62.19 53.01 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.8 mt -115.74 -169.62 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.51 172.21 7.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -102.59 122.62 44.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.2 t80 57.9 62.2 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.1 143.21 25.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -76.66 140.51 40.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -139.71 134.18 31.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -111.63 119.51 5.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.143 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.646 HG13 HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -123.6 156.8 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.8 m -127.69 152.9 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.622 HG11 ' CD2' ' A' ' 36' ' ' TRP . 5.6 t -128.39 144.61 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -153.41 154.55 34.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.899 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.08 120.08 31.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.645 ' CB ' HG23 ' A' ' 103' ' ' THR . 0.5 OUTLIER -116.55 130.72 56.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.62 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 22.5 p30 -124.47 178.31 5.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -63.54 -16.55 61.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.62 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . . . -82.21 -26.04 33.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 148.48 -167.06 29.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.645 HG23 ' CB ' ' A' ' 98' ' ' PHE . 2.3 m -114.34 145.31 41.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 110.398 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -91.22 -170.09 42.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.31 41.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 m -79.77 156.03 27.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.53 153.7 21.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.52 120.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.09 125.29 24.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -107.41 -163.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -150.64 154.46 37.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.06 93.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.9 m -63.28 116.52 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.423 ' CG2' HD11 ' A' ' 32' ' ' ILE . 11.3 p -53.46 145.1 15.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 24.7 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 150.61 38.59 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.33 29.38 7.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.99 147.69 11.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.29 14.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 168.52 24.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.442 1.759 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.6 mmm -109.75 175.35 5.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t0 51.15 30.02 5.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.655 HG11 ' OG ' ' A' ' 107' ' ' SER . 61.0 t -74.9 109.77 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -148.34 155.67 41.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.353 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.663 HD22 HG22 ' A' ' 34' ' ' VAL . 70.9 mt -111.29 161.39 16.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.478 ' C ' HG23 ' A' ' 32' ' ' ILE . 2.4 tt0 -165.9 117.61 0.84 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.766 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.65 HG23 HG23 ' A' ' 28' ' ' THR . 3.2 m -96.91 -34.22 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.65 HG23 HG23 ' A' ' 27' ' ' VAL . 31.0 p -125.88 -162.34 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 t -89.51 -35.75 15.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.42 ' C ' ' OG ' ' A' ' 31' ' ' SER . 79.0 mt-30 -124.37 54.37 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.554 ' HA ' HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -176.99 151.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.478 HG23 ' C ' ' A' ' 25' ' ' GLN . 85.9 mt -140.77 150.01 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -99.0 118.27 35.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.663 HG22 HD22 ' A' ' 24' ' ' LEU . 17.6 t -107.29 109.17 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.6 HG23 HG23 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -117.62 128.74 55.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 110.414 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.875 ' CD2' HG11 ' A' ' 95' ' ' VAL . 30.9 p90 -144.01 160.76 40.29 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -111.47 161.12 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.64 148.86 1.6 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.02 174.1 13.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -38.57 134.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -60.73 -53.72 53.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -58.93 -20.23 50.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.3 mt -110.89 49.36 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -106.29 -31.59 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 81.0 m-20 41.3 59.99 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.5 155.12 19.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 48' ' ' ILE . 55.6 t -43.86 163.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.853 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.2 mm -105.13 125.53 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.082 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.475 ' CD ' ' HG3' ' A' ' 100' ' ' ARG . 0.7 OUTLIER -72.69 -46.66 52.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.63 ' HA2' ' HB2' ' A' ' 73' ' ' ALA . . . -171.58 174.92 45.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.885 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 8.2 m-85 -130.05 164.27 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.433 ' C ' HD12 ' A' ' 53' ' ' ILE . 21.6 mt-30 -119.3 137.86 53.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.842 ' CG2' HD11 ' A' ' 82' ' ' LEU . 3.9 mp -115.57 102.19 13.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 93' ' ' VAL . . . -96.35 125.99 8.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.687 ' CE1' HD22 ' A' ' 82' ' ' LEU . 17.9 p90 -145.16 147.39 32.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.54 158.46 37.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 7.8 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.524 0.202 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.8 m -62.52 106.04 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.049 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.444 HD13 ' HA ' ' A' ' 68' ' ' ILE . 25.7 mm -85.28 137.97 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -140.3 113.02 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.601 ' CD ' ' CZ ' ' A' ' 98' ' ' PHE . 4.3 tt0 -87.95 139.61 30.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 1.7 ppp? -133.37 -177.37 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.419 ' O ' ' SD ' ' A' ' 71' ' ' MET . 2.8 mttm -88.4 147.33 24.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.63 ' HB2' ' HA2' ' A' ' 50' ' ' GLY . . . -104.41 118.1 35.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.638 HG23 ' OE1' ' A' ' 78' ' ' GLU . 17.1 p -66.17 -47.22 74.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 76' ' ' ASP . . . 112.24 59.42 0.44 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 2.7 m-20 155.91 -44.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.411 ' O ' ' CD ' ' A' ' 78' ' ' GLU . 52.9 p -145.39 152.81 40.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.045 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.638 ' OE1' HG23 ' A' ' 74' ' ' THR . 21.3 mm-40 -144.44 151.78 39.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.6 HG23 HG23 ' A' ' 35' ' ' THR . 10.9 p -154.16 146.48 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -147.01 123.17 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 m -89.23 96.79 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.386 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.842 HD11 ' CG2' ' A' ' 53' ' ' ILE . 32.4 mt -74.88 123.28 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 5.7 p30 -122.54 167.69 13.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 5.7 m120 84.57 44.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.762 HD12 ' N ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -99.63 -163.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.19 -175.03 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -108.98 112.58 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.7 t80 57.19 63.07 1.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.2 155.65 43.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -75.53 140.86 43.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 2.9 m-85 -139.03 134.58 33.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.71 123.08 4.77 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.628 HG22 HD21 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -120.41 164.21 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.4 m -140.34 120.94 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.875 HG11 ' CD2' ' A' ' 36' ' ' TRP . 15.1 t -96.37 147.43 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -151.94 144.17 23.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.246 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.885 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.5 135.53 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.601 ' CZ ' ' CD ' ' A' ' 70' ' ' GLU . 1.0 OUTLIER -133.04 138.24 46.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.958 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 99' ' ' ASN . 0.5 OUTLIER -124.39 178.02 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.475 ' HG3' ' CD ' ' A' ' 49' ' ' ARG . 1.9 mtt-85 -59.35 -22.7 61.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.417 ' HB3' ' N ' ' A' ' 14' ' ' ALA . . . -74.92 -26.01 59.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.98 -153.03 25.03 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.4 m -121.5 156.88 31.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 110.368 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.63 -168.06 19.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 161.43 38.76 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.69 164.94 12.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.655 ' OG ' HG11 ' A' ' 22' ' ' VAL . 57.5 p -83.99 159.19 21.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.18 121.59 5.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -55.79 125.85 23.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.619 HG22 ' H ' ' A' ' 111' ' ' ASN . 0.8 OUTLIER -105.12 -162.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.338 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.619 ' H ' HG22 ' A' ' 110' ' ' ILE . 12.1 p-10 -150.85 153.72 35.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.35 90.08 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 83.6 m -65.51 108.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 54.6 p -45.87 149.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 68.7 mt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 153.4 41.75 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -124.76 60.56 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 170.77 128.03 0.99 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.07 17.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.07 23.43 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.498 1.788 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.71 177.86 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 t0 47.57 34.14 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.538 HG12 HD11 ' A' ' 110' ' ' ILE . 38.8 t -78.24 106.41 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -147.39 160.5 42.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.975 ' CD2' HG22 ' A' ' 34' ' ' VAL . 52.5 mt -110.33 163.46 13.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -164.83 118.29 0.97 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.591 HG23 HG23 ' A' ' 28' ' ' THR . 2.8 m -101.14 -38.13 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.591 HG23 HG23 ' A' ' 27' ' ' VAL . 44.2 p -120.12 -148.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -109.16 -24.37 11.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -128.6 44.34 2.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 9.3 t -168.87 165.24 11.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.401 HD11 HG23 ' A' ' 114' ' ' THR . 44.9 mt -151.62 146.76 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -99.01 117.89 34.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.975 HG22 ' CD2' ' A' ' 24' ' ' LEU . 44.8 t -106.36 108.5 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.472 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.1 p -110.27 137.47 47.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.453 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.889 ' CD2' HG11 ' A' ' 95' ' ' VAL . 28.0 p90 -148.31 163.64 36.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt -119.45 170.59 9.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -47.76 144.03 5.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 173.26 14.81 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.44 ' CB ' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -41.02 137.38 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -69.11 -46.84 66.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -73.16 -2.71 22.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.44 ' HB2' ' CB ' ' A' ' 40' ' ' LYS . 40.7 mt -113.61 42.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -122.78 95.99 4.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -84.09 51.0 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.76 153.56 11.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 p -41.73 160.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 0.766 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.491 HG21 ' CZ ' ' A' ' 51' ' ' TYR . 2.8 mm -104.08 150.78 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.67 -25.16 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.442 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 173.07 178.02 42.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 1.028 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.5 m-85 -135.18 132.66 38.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.636 ' C ' HD12 ' A' ' 53' ' ' ILE . 12.2 mm-40 -80.26 157.12 26.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.636 HD12 ' C ' ' A' ' 52' ' ' GLN . 4.3 mp -134.31 105.16 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.434 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -103.73 134.51 11.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.502 ' HB2' HG22 ' A' ' 93' ' ' VAL . 19.1 p90 -153.15 145.19 23.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.632 ' CD ' ' CE1' ' A' ' 66' ' ' TYR . 0.5 OUTLIER -156.4 151.07 25.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 5.1 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.632 ' CE1' ' CD ' ' A' ' 56' ' ' ARG . 8.9 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.495 0.188 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.1 m -71.99 108.15 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.54 ' CG2' ' CD ' ' A' ' 52' ' ' GLN . 28.0 mm -91.83 139.13 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.573 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -135.36 114.03 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 71' ' ' MET . 2.2 tm-20 -79.92 146.32 32.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 2.8 ppp? -150.36 -176.57 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.538 ' HD2' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -114.52 154.98 27.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.05 105.86 17.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.538 HG22 ' HD2' ' A' ' 72' ' ' LYS . 9.6 p -80.95 2.25 27.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.38 -166.13 36.39 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -44.96 92.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.0 p -94.18 134.73 36.33 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.421 ' HB2' ' NE1' ' A' ' 36' ' ' TRP . 71.7 mm-40 -132.08 153.57 50.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.472 HG23 ' CG2' ' A' ' 35' ' ' THR . 14.5 p -146.67 148.63 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -145.98 122.69 11.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 m -88.95 98.44 11.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.419 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.552 HD21 ' CG2' ' A' ' 53' ' ' ILE . 18.6 mt -74.22 106.63 5.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -99.08 171.09 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.443 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.8 OUTLIER 75.86 59.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 84' ' ' ASN . 12.0 mt -122.95 -179.37 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.88 167.75 11.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 88' ' ' PHE . 4.3 mttp -82.64 134.73 35.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.651 ' CD1' HG22 ' A' ' 113' ' ' THR . 7.1 t80 32.75 65.82 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.44 143.52 48.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -73.92 113.16 10.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 9.6 m-85 -120.43 123.94 44.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.58 131.19 10.61 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.948 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.556 ' HB ' HD21 ' A' ' 24' ' ' LEU . 42.3 t -122.81 154.04 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.1 m -143.74 118.76 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.889 HG11 ' CD2' ' A' ' 36' ' ' TRP . 7.5 t -99.87 148.03 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' GLN . 1.6 pt20 -153.58 143.56 22.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 1.028 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.09 128.99 37.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.813 ' HB3' HG23 ' A' ' 103' ' ' THR . 7.3 p90 -125.32 136.37 53.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.458 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 16.6 p30 -124.31 177.44 5.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -57.9 -23.38 52.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.458 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . . . -73.73 -22.45 59.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.09 -157.61 27.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.155 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.813 HG23 ' HB3' ' A' ' 98' ' ' PHE . 9.8 m -114.37 144.22 43.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 110.417 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.88 177.53 49.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 155.93 42.7 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 p -73.31 153.32 40.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 p -82.93 173.91 11.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.25 114.52 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -48.89 133.57 17.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.238 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.538 HD11 HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -126.07 -174.41 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -152.36 161.53 42.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.462 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -171.54 97.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.651 HG22 ' CD1' ' A' ' 88' ' ' PHE . 31.9 m -65.1 114.48 4.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.401 HG23 HD11 ' A' ' 32' ' ' ILE . 7.3 p -48.68 177.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 43.8 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 138.01 22.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -109.68 49.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' A' ' 18' ' ' PRO . . . 171.41 143.39 4.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 111.047 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -74.97 174.19 13.2 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.75 21.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -110.34 162.78 14.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 59.5 46.31 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.66 HG11 ' OG ' ' A' ' 107' ' ' SER . 9.8 t -86.18 105.7 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.412 ' C ' HD13 ' A' ' 24' ' ' LEU . 4.7 t -149.9 152.03 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.979 HD12 HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -107.62 154.49 21.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.28 115.46 3.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 110.94 3.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.644 HG23 HG23 ' A' ' 28' ' ' THR . 2.8 m -95.48 -33.39 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.644 HG23 HG23 ' A' ' 27' ' ' VAL . 44.0 p -120.69 -150.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.435 ' CB ' ' HD3' ' A' ' 87' ' ' LYS . 1.7 m -114.08 -13.94 12.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.038 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -135.66 35.2 2.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -162.25 163.87 27.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.955 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.436 HG21 ' HB3' ' A' ' 24' ' ' LEU . 50.2 mt -148.85 139.71 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -92.8 113.04 25.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.979 HG22 HD12 ' A' ' 24' ' ' LEU . 92.1 t -102.39 109.93 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.551 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.4 p -112.33 141.31 46.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.524 ' CD2' HG11 ' A' ' 95' ' ' VAL . 29.8 p90 -155.61 164.64 38.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 107.987 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -122.42 167.3 13.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.17 145.48 2.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -74.99 -175.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.779 ' HB2' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -39.26 139.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' HA ' ' NE2' ' A' ' 44' ' ' GLN . 7.3 tptt -65.83 -51.92 54.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -88.46 46.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 40' ' ' LYS . 15.9 mt -147.05 -44.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 43' ' ' LEU . 4.1 mt-30 -33.06 -45.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 60.14 56.75 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.49 -177.09 23.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.516 HG22 ' H ' ' A' ' 48' ' ' ILE . 9.1 p -67.76 171.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.902 HG21 ' CE1' ' A' ' 51' ' ' TYR . 6.7 mm -121.33 130.26 74.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -36.12 33.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.436 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 176.7 174.31 43.05 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.965 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 6.0 m-85 -128.64 145.14 51.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -95.07 132.89 39.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.856 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.0 mp -112.89 96.36 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.487 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -90.5 127.88 9.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.641 ' HB2' HG12 ' A' ' 93' ' ' VAL . 41.0 p90 -144.63 145.89 32.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -156.07 152.8 28.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 91' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 12.8 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.468 0.175 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.9 m -63.84 107.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.487 HD13 ' CA ' ' A' ' 54' ' ' GLY . 31.2 mm -85.66 151.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.675 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -143.19 116.86 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 71' ' ' MET . 4.4 tt0 -80.71 139.78 35.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.425 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -147.19 178.81 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.667 ' NZ ' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -121.07 147.53 45.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.02 118.51 20.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.667 HG22 ' NZ ' ' A' ' 72' ' ' LYS . 6.5 p -99.04 24.57 7.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.401 ' O ' ' OE2' ' A' ' 78' ' ' GLU . . . 141.22 -150.54 21.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.76 -45.96 23.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.6 p -97.6 144.03 27.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 75' ' ' GLY . 23.7 mm-40 -136.06 158.86 43.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.551 HG23 ' CG2' ' A' ' 35' ' ' THR . 12.3 p -150.49 149.02 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.15 120.19 9.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.5 m -88.29 94.36 9.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.856 HD11 ' CG2' ' A' ' 53' ' ' ILE . 32.8 mt -70.34 106.96 3.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.6 -175.46 3.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.476 ' O ' HD23 ' A' ' 85' ' ' LEU . 44.8 m-20 61.35 61.5 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 84' ' ' ASN . 17.7 mt -122.23 -177.68 3.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.54 162.44 13.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.435 ' HD3' ' CB ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -83.29 130.61 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.1 t80 38.05 72.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.41 144.4 29.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -74.84 128.48 35.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 57' ' ' GLU . 5.7 m-85 -128.75 135.55 49.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.11 113.14 2.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.641 HG12 ' HB2' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -115.96 159.99 15.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.409 ' CG1' ' HB2' ' A' ' 109' ' ' GLU . 1.4 m -135.47 129.15 49.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.524 HG11 ' CD2' ' A' ' 36' ' ' TRP . 6.9 t -101.74 148.05 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -153.11 145.86 24.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.965 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.65 121.36 33.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.603 ' C ' ' CD1' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -117.48 134.28 55.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.56 178.38 5.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -67.69 -24.24 65.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.91 -25.79 59.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.87 -174.13 30.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.427 HG23 ' CB ' ' A' ' 98' ' ' PHE . 7.2 m -108.05 147.86 30.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 110.373 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -98.5 -169.84 31.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.514 1.133 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.21 29.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.3 p -96.62 168.51 10.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.66 ' OG ' HG11 ' A' ' 22' ' ' VAL . 51.9 p -97.7 162.98 13.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.931 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.89 119.23 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.409 ' HB2' ' CG1' ' A' ' 94' ' ' VAL . 4.6 tt0 -65.97 112.68 3.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.718 HD13 HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -89.94 -163.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.445 ' H ' HG22 ' A' ' 110' ' ' ILE . 11.4 p-10 -152.71 136.83 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.518 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -146.38 100.94 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.7 m -69.77 121.66 17.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 18.4 p -52.59 -174.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.946 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.0 135.73 19.45 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -108.88 60.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.59 142.17 3.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 172.96 15.33 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.486 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 18.4 Cg_endo -75.03 158.12 42.27 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 43.9 mtp -98.97 178.4 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t70 50.65 28.24 3.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.851 HG11 ' OG ' ' A' ' 107' ' ' SER . 41.4 t -72.13 111.15 5.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -153.83 151.97 30.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.009 ' CD2' HG22 ' A' ' 34' ' ' VAL . 50.1 mt -106.6 163.98 12.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -166.64 118.11 0.77 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.23 2.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -91.52 -33.75 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.431 ' OG1' ' CB ' ' A' ' 31' ' ' SER . 1.2 p -124.52 -168.32 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.9 p -100.16 1.81 42.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -147.07 26.31 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.0 OUTLIER -154.26 168.94 24.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.96 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 81' ' ' THR . 55.8 mt -152.39 136.82 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.406 ' NE2' ' OG1' ' A' ' 81' ' ' THR . 0.0 OUTLIER -89.71 132.56 35.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.148 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.009 HG22 ' CD2' ' A' ' 24' ' ' LEU . 95.5 t -124.16 104.69 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.537 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.2 p -109.98 140.51 43.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.75 ' CD2' HG11 ' A' ' 95' ' ' VAL . 33.5 p90 -150.89 164.93 35.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 107.995 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -117.17 162.77 17.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.14 136.3 8.63 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 98.39 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.528 ' HB2' HD12 ' A' ' 43' ' ' LEU . 6.0 mptp? 48.54 -169.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -117.01 -47.18 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -85.05 10.83 10.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.528 HD12 ' HB2' ' A' ' 40' ' ' LYS . 20.0 mt -104.2 -36.0 7.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -38.3 -35.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.02 22.21 12.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.565 ' O ' ' CG1' ' A' ' 47' ' ' VAL . . . 112.98 68.02 0.51 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.554 1.158 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.59 HG22 ' N ' ' A' ' 48' ' ' ILE . 8.5 p 48.43 172.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.59 ' N ' HG22 ' A' ' 47' ' ' VAL . 4.8 mm -123.03 140.36 46.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.8 -37.65 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.444 ' HA3' ' CZ ' ' A' ' 98' ' ' PHE . . . -172.59 174.56 45.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE1' ' OE2' ' A' ' 78' ' ' GLU . 6.7 m-85 -126.19 173.15 9.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.508 ' C ' HD12 ' A' ' 53' ' ' ILE . 13.5 mt-30 -134.13 132.33 39.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.839 HG21 HD21 ' A' ' 82' ' ' LEU . 3.5 mp -114.72 109.82 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.423 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -105.31 116.04 5.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.769 ' CB ' HG22 ' A' ' 93' ' ' VAL . 21.7 p90 -135.73 146.99 48.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.6 143.68 18.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 1.1 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 13.6 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.532 0.205 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 m -69.47 111.32 5.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.973 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.423 HD13 ' CA ' ' A' ' 54' ' ' GLY . 36.9 mm -90.13 139.77 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -127.77 119.56 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.53 135.39 36.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.409 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 1.7 ppp? -144.37 -179.26 6.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -118.94 149.27 41.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.46 105.92 6.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.8 p -60.54 -38.02 83.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.05 -130.47 1.54 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.51 -28.28 56.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.7 p -125.29 145.91 49.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.585 ' OE2' ' CE1' ' A' ' 51' ' ' TYR . 8.4 mp0 -135.69 158.31 44.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.537 HG23 ' CG2' ' A' ' 35' ' ' THR . 14.9 p -150.08 147.79 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.557 ' CE1' HD13 ' A' ' 82' ' ' LEU . 3.0 t80 -145.41 127.51 15.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.406 ' OG1' ' NE2' ' A' ' 33' ' ' GLN . 15.9 m -103.22 102.91 12.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.839 HD21 HG21 ' A' ' 53' ' ' ILE . 2.6 mm? -73.31 107.17 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -89.86 179.12 6.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.422 ' O ' HD23 ' A' ' 85' ' ' LEU . 82.8 m-20 60.81 61.39 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 84' ' ' ASN . 56.6 mt -122.79 174.14 7.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.19 -175.95 6.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -114.22 130.75 56.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.6 t80 48.05 55.53 8.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.51 145.28 50.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -74.28 118.38 17.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.515 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 1.5 m-85 -125.55 129.52 49.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.47 135.65 12.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.769 HG22 ' CB ' ' A' ' 55' ' ' TYR . 21.6 t -133.07 152.78 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 0.791 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.1 m -137.73 119.8 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.75 HG11 ' CD2' ' A' ' 36' ' ' TRP . 17.4 t -92.56 145.68 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -152.95 140.64 19.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 48' ' ' ILE . . . -91.39 132.18 36.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.595 ' C ' ' CD1' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -124.62 137.82 54.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -123.42 178.33 5.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -64.02 -26.69 68.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.72 -25.94 61.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.9 -171.57 29.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 34.6 m -105.06 148.09 27.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -101.23 -171.71 28.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 157.76 42.7 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 m -99.22 165.81 11.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.851 ' OG ' HG11 ' A' ' 22' ' ' VAL . 80.0 p -80.29 166.82 20.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.8 p -50.58 155.88 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -79.68 117.69 20.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.655 HD11 HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -109.38 -172.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 91' ' ' TYR . 18.4 m-80 -152.62 165.21 35.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.613 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -164.38 69.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.0 m -39.31 113.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.8 p -48.26 176.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 33.3 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 150.97 38.68 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -122.52 42.5 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.62 135.72 2.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.28 18.63 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 164.11 33.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.4 mmm -107.28 172.31 6.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t70 54.78 36.24 25.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.719 HG12 HD11 ' A' ' 110' ' ' ILE . 48.9 t -80.58 111.88 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 t -151.98 158.51 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.96 ' CD2' HG22 ' A' ' 34' ' ' VAL . 48.0 mt -108.59 165.47 11.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.18 118.29 0.73 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.276 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HB2' ' CD2' ' A' ' 115' ' ' LEU . 18.2 Cg_endo -75.0 115.63 4.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 m -100.77 -31.5 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.526 ' HG1' ' CB ' ' A' ' 31' ' ' SER . 74.7 p -125.93 -163.79 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 m -95.49 -23.0 17.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -133.87 39.89 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.526 ' CB ' ' HG1' ' A' ' 28' ' ' THR . 0.5 OUTLIER -164.65 137.79 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.589 HD11 HG22 ' A' ' 114' ' ' THR . 87.8 mt -124.68 146.55 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -98.77 134.61 41.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.96 HG22 ' CD2' ' A' ' 24' ' ' LEU . 72.3 t -124.18 113.52 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.547 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.1 p -114.96 141.36 48.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.808 ' CD2' HG11 ' A' ' 95' ' ' VAL . 17.7 p90 -152.14 158.73 43.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 107.993 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . 19.7 mtpt -114.32 158.65 21.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 76' ' ' ASP . . . -39.91 141.62 0.76 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 171.71 17.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -38.0 132.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -60.68 -54.34 46.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -62.13 -21.11 64.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -110.67 51.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -106.34 -53.08 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 2.1 m120 70.41 59.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.591 1.182 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.47 161.49 9.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 48' ' ' ILE . 53.6 t -42.96 161.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.777 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.4 mm -106.44 132.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -82.74 -27.9 30.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.433 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 173.63 -173.58 45.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.903 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 28.6 m-85 -141.69 162.29 35.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.562 ' C ' HD12 ' A' ' 53' ' ' ILE . 45.6 mt-30 -112.34 149.96 31.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.887 HG21 HD21 ' A' ' 82' ' ' LEU . 4.6 mp -130.82 95.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.46 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -89.41 115.0 4.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.493 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 24.0 p90 -129.92 142.51 50.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.645 ' NE ' ' CE1' ' A' ' 66' ' ' TYR . 8.1 ptt180 -157.01 148.78 22.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.492 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 7.2 tt0 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.645 ' CE1' ' NE ' ' A' ' 56' ' ' ARG . 24.7 m-85 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.543 0.211 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.5 m -71.43 106.38 3.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.978 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.46 HD13 ' CA ' ' A' ' 54' ' ' GLY . 20.4 mm -82.99 144.63 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -143.56 112.59 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -84.19 138.38 33.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -141.74 -177.82 5.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.415 ' O ' ' SD ' ' A' ' 71' ' ' MET . 4.4 mttm -95.87 154.78 17.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.078 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.25 97.27 11.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 74.2 p -47.93 -37.61 14.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.38 -132.99 2.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.9 m-20 -66.08 -37.54 86.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.5 p -120.22 145.16 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.598 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 1.3 mp0 -131.79 156.56 45.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.547 HG23 ' CG2' ' A' ' 35' ' ' THR . 12.8 p -146.0 146.35 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.522 ' CE1' HD13 ' A' ' 82' ' ' LEU . 6.3 t80 -146.53 138.15 24.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 15.5 m -108.0 106.44 16.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.887 HD21 HG21 ' A' ' 53' ' ' ILE . 2.9 mm? -78.74 106.17 10.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.04 -176.22 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.088 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 61.58 46.28 7.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.513 HD11 ' O ' ' A' ' 82' ' ' LEU . 38.6 mt -108.14 166.98 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 1.8 tttt -77.96 -170.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -121.22 138.13 54.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.5 t80 45.61 36.6 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . . . -122.17 143.91 49.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.45 ' NE2' ' OD1' ' A' ' 111' ' ' ASN . 43.8 tt0 -74.62 133.43 42.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.492 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 5.8 m-85 -133.08 128.37 36.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.81 124.55 7.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.493 ' HB ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -132.68 161.2 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 21.8 m -131.23 173.33 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.808 HG11 ' CD2' ' A' ' 36' ' ' TRP . 19.3 t -144.25 140.39 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -146.81 149.66 33.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.903 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.0 129.66 36.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -125.25 132.23 52.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -124.41 177.01 6.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -23.14 56.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.0 -24.37 59.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.78 -155.21 26.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.451 HG23 ' CB ' ' A' ' 98' ' ' PHE . 6.6 m -119.74 152.76 36.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -100.35 -172.55 29.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 160.01 40.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.4 p -76.02 169.5 18.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.57 ' OG ' HG11 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -102.37 159.66 15.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.86 117.58 1.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.67 145.19 40.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.719 HD11 HG12 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -134.78 -174.0 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.45 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 23.9 m-80 -153.33 146.9 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.612 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -151.77 87.65 1.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.7 m -58.94 105.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.589 HG22 HD11 ' A' ' 32' ' ' ILE . 80.9 p -41.18 155.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.491 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 131.7 14.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -103.5 56.25 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.39 138.28 2.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.85 15.54 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HG3' HG12 ' A' ' 95' ' ' VAL . 18.3 Cg_endo -74.93 160.26 40.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.4 mtp -106.26 178.67 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 t0 51.84 31.19 7.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.504 HG12 HD11 ' A' ' 110' ' ' ILE . 44.1 t -75.08 107.0 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 t -139.8 154.79 47.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 HG22 ' A' ' 34' ' ' VAL . 7.6 mt -117.16 158.92 23.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -164.4 121.92 1.16 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 118.94 5.44 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.626 HG23 HG23 ' A' ' 28' ' ' THR . 5.0 m -105.61 -40.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.626 HG23 HG23 ' A' ' 27' ' ' VAL . 54.0 p -119.55 178.9 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.375 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -82.2 -22.63 35.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -129.29 48.6 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.501 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.2 OUTLIER -177.51 170.01 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' THR . 50.5 mt -152.39 159.75 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -104.3 124.96 50.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.811 ' O ' HG23 ' A' ' 79' ' ' VAL . 41.8 t -117.56 118.71 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.73 140.36 52.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.533 ' CH2' HD11 ' A' ' 53' ' ' ILE . 30.8 p90 -154.23 161.98 41.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.019 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -116.93 172.88 6.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -52.58 137.2 42.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.01 98.79 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.4 -168.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -118.99 -47.55 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -76.17 -12.1 60.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.14 -20.52 18.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -51.3 -26.97 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 41.37 42.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.95 174.52 24.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.9 m -54.71 176.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.732 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.554 HG21 ' CE1' ' A' ' 51' ' ' TYR . 6.4 mm -125.6 145.46 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.29 -25.76 14.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.442 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 168.07 -178.12 41.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 1.056 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 10.3 m-85 -136.21 153.57 51.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.425 ' C ' HD12 ' A' ' 53' ' ' ILE . 45.8 mt-30 -105.09 135.48 46.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.906 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.3 mp -119.31 111.47 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.419 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -104.79 127.96 9.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 39.1 p90 -135.81 139.06 43.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 0.771 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -154.49 138.77 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 19.6 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.507 0.194 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.574 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 75.4 m -76.21 105.62 7.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 68' ' ' ILE . 32.0 mm -85.48 147.68 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -137.61 117.65 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -79.94 137.72 36.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 3.5 ppp? -139.33 177.83 7.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.45 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -121.8 147.25 46.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.27 142.49 31.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 p -129.29 12.5 6.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 110.349 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.81 -139.95 6.13 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -97.22 -38.28 9.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.268 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.404 ' O ' ' OE2' ' A' ' 78' ' ' GLU . 22.4 p -106.04 130.6 53.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.41 ' HB3' ' CE ' ' A' ' 71' ' ' MET . 32.3 mm-40 -126.37 160.89 29.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 34' ' ' VAL . 8.2 p -147.52 147.73 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.55 ' CD1' HD12 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -142.04 123.86 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 4.0 m -90.11 96.29 10.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.906 HD21 ' CG2' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -69.91 106.16 3.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.63 -179.37 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.655 ' O ' HD23 ' A' ' 85' ' ' LEU . 9.0 m-20 63.85 67.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 84' ' ' ASN . 19.6 mt -128.2 -171.17 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.88 161.99 14.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' PHE . 7.4 mttt -79.06 135.0 36.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 115' ' ' LEU . 15.1 t80 36.71 63.35 0.67 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.4 ' N ' ' OG1' ' A' ' 114' ' ' THR . . . -136.62 135.21 38.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.478 ' CG ' ' HB3' ' A' ' 111' ' ' ASN . 4.3 tt0 -74.19 130.27 39.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 5.1 m-85 -131.6 123.11 27.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.03 104.54 3.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 54' ' ' GLY . 0.2 OUTLIER -111.5 157.11 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.729 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.4 m -122.01 178.91 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.548 HG12 ' HG3' ' A' ' 19' ' ' PRO . 21.4 t -147.1 135.57 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -148.18 140.85 24.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 1.056 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.19 118.86 30.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 5.5 p90 -107.23 129.87 54.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 99' ' ' ASN . 0.5 OUTLIER -124.47 164.22 20.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -24.95 38.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.37 -19.81 60.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.26 -166.87 29.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.401 HG23 ' CB ' ' A' ' 98' ' ' PHE . 4.8 m -114.46 142.69 46.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 0.796 . . . . 0.0 110.399 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -94.36 175.56 34.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.77 42.26 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.67 167.97 15.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.1 170.66 9.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.29 115.13 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.9 129.91 44.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.704 HG22 ' H ' ' A' ' 111' ' ' ASN . 0.3 OUTLIER -104.41 -162.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.704 ' H ' HG22 ' A' ' 110' ' ' ILE . 84.3 m-20 -152.74 139.77 19.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -156.11 97.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 114' ' ' THR . 23.9 m -67.57 123.35 20.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.435 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 113' ' ' THR . 4.7 p -49.99 -177.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 88' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 149.54 36.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.685 ' O ' HD22 ' A' ' 43' ' ' LEU . 8.7 m-20 -123.07 57.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.479 ' HA3' HD13 ' A' ' 43' ' ' LEU . . . 163.22 135.93 1.9 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 174.39 12.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.58 24.51 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -108.53 159.56 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.9 t0 61.0 47.73 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.487 HG12 HD11 ' A' ' 110' ' ' ILE . 6.2 t -86.16 105.82 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -149.36 153.06 36.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.87 HD12 HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.4 158.97 16.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.83 115.69 3.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.447 ' HB2' ' CD1' ' A' ' 115' ' ' LEU . 18.2 Cg_endo -75.01 109.67 2.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.802 HG23 HG23 ' A' ' 28' ' ' THR . 2.9 m -102.79 -38.31 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.802 HG23 HG23 ' A' ' 27' ' ' VAL . 13.3 p -111.29 -170.93 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -89.01 -36.67 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -123.37 45.41 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.497 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.7 OUTLIER -167.44 151.56 6.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.406 HG21 ' HB3' ' A' ' 24' ' ' LEU . 79.3 mt -135.64 145.08 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -96.96 122.56 40.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.87 HG22 HD12 ' A' ' 24' ' ' LEU . 42.5 t -108.76 122.88 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.09 135.48 51.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.388 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.533 ' CE3' HG11 ' A' ' 95' ' ' VAL . 14.5 p90 -149.22 170.16 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 108.03 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -124.91 158.91 32.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -39.94 143.71 0.58 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.02 -179.23 4.79 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.771 ' HB2' HD12 ' A' ' 43' ' ' LEU . 2.4 mptp? -38.5 145.67 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.401 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 36.2 tptt -68.35 -57.27 6.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -84.09 48.15 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.771 HD12 ' HB2' ' A' ' 40' ' ' LYS . 15.0 mt -147.58 -45.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' LEU . 4.0 mt-30 -33.08 -41.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 58.91 57.03 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.68 -177.01 29.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 48' ' ' ILE . 9.6 p -67.42 161.08 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.908 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.6 mm -110.61 127.45 67.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -79.99 -32.34 39.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.607 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 177.16 179.76 47.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.908 ' CE1' HG21 ' A' ' 48' ' ' ILE . 18.2 m-85 -135.21 147.04 49.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.664 ' C ' HD12 ' A' ' 53' ' ' ILE . 37.6 mt-30 -98.22 151.54 20.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.861 HG21 HD11 ' A' ' 82' ' ' LEU . 4.3 mp -131.79 102.56 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.418 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -96.31 109.38 3.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.559 ' HB2' HG12 ' A' ' 93' ' ' VAL . 23.2 p90 -124.51 141.88 51.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.58 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.7 152.91 27.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.58 ' CD1' ' HG2' ' A' ' 56' ' ' ARG . 11.6 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.46 0.171 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.405 ' CB ' ' CE1' ' A' ' 55' ' ' TYR . 36.4 m -64.62 105.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.418 HD13 ' CA ' ' A' ' 54' ' ' GLY . 42.5 mm -84.99 147.62 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.629 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -149.07 112.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.32 146.9 31.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.479 ' HB3' ' CE1' ' A' ' 80' ' ' TYR . 8.0 ptm -157.58 149.88 22.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 152.25 32.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.42 115.15 26.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.9 p -58.98 -41.66 88.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.345 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.46 -132.32 2.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.35 -41.84 94.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.8 p -112.52 148.84 33.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 14.5 mp0 -137.73 150.89 47.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 34' ' ' VAL . 7.2 p -149.26 146.91 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.479 ' CE1' ' HB3' ' A' ' 71' ' ' MET . 27.7 t80 -140.09 128.0 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m -82.67 104.16 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.861 HD11 HG21 ' A' ' 53' ' ' ILE . 64.2 mt -86.01 106.47 17.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.72 -177.64 3.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.41 ' O ' HD23 ' A' ' 85' ' ' LEU . 9.6 m-80 62.4 62.7 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 84' ' ' ASN . 44.9 mt -121.23 -172.23 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.4 161.18 13.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -91.03 129.94 36.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.2 t80 46.0 66.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.54 143.78 25.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -74.51 141.76 44.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -141.71 133.71 27.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.33 107.26 1.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.559 HG12 ' HB2' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -109.7 161.63 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 107' ' ' SER . 1.2 m -132.1 139.84 49.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.533 HG11 ' CE3' ' A' ' 36' ' ' TRP . 10.1 t -113.2 146.59 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -153.15 149.43 28.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.893 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.28 128.5 37.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 1.1 p90 -124.19 131.58 53.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.435 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 22.5 p30 -124.55 178.36 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -66.12 -12.85 58.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.435 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . . . -82.96 -23.96 33.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.57 -153.29 24.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.105 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 m -125.25 143.18 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -89.31 -173.26 46.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 162.5 37.01 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 83.9 p -86.56 150.31 24.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.44 ' O ' HG12 ' A' ' 94' ' ' VAL . 83.2 p -84.54 168.52 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.66 119.3 6.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -66.02 112.52 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.734 HD13 HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -89.1 -163.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.46 ' H ' HG22 ' A' ' 110' ' ' ILE . 7.5 p-10 -152.48 135.36 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.54 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.24 91.93 1.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.8 m -61.85 132.24 52.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.69 167.55 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.53 35.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -120.96 56.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.15 137.31 2.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 168.34 25.06 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.7 mtp -111.67 171.49 7.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.0 t0 52.24 45.31 28.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.602 HG11 ' OG ' ' A' ' 107' ' ' SER . 8.6 t -85.63 106.13 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.402 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.5 t -146.05 150.61 36.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.782 HD21 HD13 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -104.69 166.33 10.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -167.28 115.91 0.68 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 109.73 2.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.505 1.792 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.736 HG23 HG23 ' A' ' 28' ' ' THR . 3.4 m -93.41 -33.85 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.736 HG23 HG23 ' A' ' 27' ' ' VAL . 42.2 p -116.8 -148.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 p -108.01 -32.32 7.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.031 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -124.82 45.42 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.446 ' O ' ' CG1' ' A' ' 32' ' ' ILE . 1.1 p -163.49 170.03 17.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.594 HD11 HG22 ' A' ' 114' ' ' THR . 28.0 mt -154.75 138.96 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.2 110.47 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.743 HG22 HD12 ' A' ' 24' ' ' LEU . 39.9 t -99.1 109.6 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.454 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.1 p -112.11 136.17 51.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.622 ' CD2' HG11 ' A' ' 95' ' ' VAL . 38.1 p90 -148.42 161.56 41.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 107.994 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . 18.3 mttt -118.27 155.42 30.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 76' ' ' ASP . . . -39.49 144.73 0.46 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.89 171.59 17.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -39.19 131.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.08 -42.31 99.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.23 -3.55 27.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 mt -117.5 31.88 6.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -117.71 93.85 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -75.18 60.46 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.92 175.91 32.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.523 HG22 ' N ' ' A' ' 48' ' ' ILE . 10.4 p -52.63 168.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.795 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.1 mm -116.53 132.6 65.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 49' ' ' ARG . 4.9 mmm180 -83.07 -33.03 26.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 173.24 176.68 41.94 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.977 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.5 m-85 -131.36 136.81 48.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.741 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.489 ' C ' HD12 ' A' ' 53' ' ' ILE . 58.3 mt-30 -84.61 142.43 29.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 1.048 ' CG2' HD21 ' A' ' 82' ' ' LEU . 3.9 mp -120.85 96.08 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -91.62 118.76 5.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.534 ' CD2' ' HG ' ' A' ' 82' ' ' LEU . 48.2 p90 -134.94 139.82 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.766 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.577 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -156.34 157.35 35.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.494 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 3.1 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 9.1 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.54 0.209 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.2 m -62.42 107.32 0.9 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.462 HD13 ' CA ' ' A' ' 54' ' ' GLY . 35.7 mm -88.74 147.22 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.579 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -140.41 119.73 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.69 137.53 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 78' ' ' GLU . 1.3 ppp? -144.71 -178.45 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.523 ' HE3' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -122.79 150.32 42.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.97 125.57 29.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.523 HG22 ' HE3' ' A' ' 72' ' ' LYS . 43.7 p -108.7 31.18 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.01 -156.66 22.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.147 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -73.33 -30.04 63.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 0.746 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 p -118.36 151.4 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.413 1.071 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.462 ' HB3' ' CE ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -137.8 163.4 31.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.454 HG23 ' CG2' ' A' ' 35' ' ' THR . 13.8 p -151.72 148.89 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.58 ' CD1' HD12 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -146.0 130.68 17.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.8 m -96.32 92.87 6.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.42 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.048 HD21 ' CG2' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -70.44 106.76 3.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -95.13 -172.12 2.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 61.54 55.68 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.456 HD12 HG13 ' A' ' 32' ' ' ILE . 26.6 mt -116.58 179.39 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.23 150.26 21.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -82.22 122.14 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.1 t80 62.52 63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.81 139.77 20.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -75.78 138.07 40.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.494 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 15.1 m-85 -138.49 132.29 31.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.42 108.18 1.85 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.468 HG12 ' HB2' ' A' ' 55' ' ' TYR . 1.0 OUTLIER -103.66 164.19 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 m -138.86 122.02 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.622 HG11 ' CD2' ' A' ' 36' ' ' TRP . 20.0 t -95.06 146.76 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -150.68 146.1 26.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.977 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.2 121.69 33.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -119.87 132.44 55.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -124.29 178.32 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -63.4 -19.01 64.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.72 -24.47 49.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.4 -158.98 27.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.456 HG23 ' CB ' ' A' ' 98' ' ' PHE . 2.2 m -118.26 145.75 44.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -100.9 -168.0 28.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.01 39.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.788 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.63 163.87 13.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.602 ' OG ' HG11 ' A' ' 22' ' ' VAL . 99.3 p -86.13 164.71 17.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.26 123.73 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -65.2 130.68 44.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.782 HD13 HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -114.33 -163.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -153.51 142.11 20.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.606 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -150.86 92.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 47.3 m -60.25 114.75 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.594 HG22 HD11 ' A' ' 32' ' ' ILE . 39.8 p -54.5 156.99 3.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.429 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.7 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 -179.94 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 18.4 Cg_endo -74.98 139.17 24.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.784 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -109.66 45.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.403 ' HA2' ' HD3' ' A' ' 18' ' ' PRO . . . 178.78 142.32 4.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.98 174.29 13.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 168.32 25.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.3 mtp -107.55 162.92 13.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 56.09 50.63 13.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 t -88.63 106.17 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -146.25 151.45 37.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.88 HD12 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -103.9 164.72 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -160.91 115.48 1.34 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.81 2.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.438 1.757 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.83 HG23 HG23 ' A' ' 28' ' ' THR . 6.4 m -88.12 -35.79 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.83 HG23 HG23 ' A' ' 27' ' ' VAL . 30.1 p -120.6 -148.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.46 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.41 -23.22 10.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -126.57 40.44 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.346 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -164.97 168.39 17.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.2 mt -153.33 137.48 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -93.32 129.17 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.88 HG22 HD12 ' A' ' 24' ' ' LEU . 43.2 t -116.36 113.81 44.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -113.77 134.35 54.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.392 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.615 ' CD2' HG11 ' A' ' 95' ' ' VAL . 28.3 p90 -146.78 176.95 9.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -135.14 162.13 33.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -43.96 140.36 2.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.98 171.64 17.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.5 1.79 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -39.84 157.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.87 -51.25 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -65.04 -11.16 36.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.275 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -106.09 -20.31 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.439 ' HG2' HD11 ' A' ' 48' ' ' ILE . 1.2 mt-30 -50.51 -47.11 57.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 59.88 42.62 16.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.43 -158.84 14.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.485 HG22 ' H ' ' A' ' 48' ' ' ILE . 9.0 p -90.58 169.75 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.715 HG21 ' CE1' ' A' ' 51' ' ' TYR . 5.1 mm -113.76 150.09 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -115.32 -34.28 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.57 ' HA3' ' CZ ' ' A' ' 98' ' ' PHE . . . -174.7 172.03 45.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 1.015 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 6.0 m-85 -131.42 151.78 51.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -105.14 134.58 48.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.822 HG21 HD21 ' A' ' 82' ' ' LEU . 4.5 mp -111.78 105.87 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.574 ' HA2' HD13 ' A' ' 68' ' ' ILE . . . -97.02 107.44 3.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.521 ' HB2' HG12 ' A' ' 93' ' ' VAL . 27.9 p90 -124.77 142.89 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.21 145.42 20.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 6.1 m-85 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.523 0.202 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.495 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 14.9 m -62.78 107.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.574 HD13 ' HA2' ' A' ' 54' ' ' GLY . 32.6 mm -89.63 148.58 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.706 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -144.27 112.94 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.35 136.42 35.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.1 ptm -153.02 152.42 31.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 149.61 26.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.36 137.26 34.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.1 p -91.62 28.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 125.01 -140.35 12.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -72.93 -22.6 60.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 0.752 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.408 ' C ' ' CD ' ' A' ' 78' ' ' GLU . 76.6 p -119.4 153.31 35.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 17.5 mp0 -147.04 156.44 43.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 34' ' ' VAL . 9.2 p -151.09 148.9 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.427 ' CD2' HD13 ' A' ' 82' ' ' LEU . 21.1 t80 -146.5 133.79 20.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 111.068 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -102.7 109.29 20.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.425 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.822 HD21 HG21 ' A' ' 53' ' ' ILE . 2.7 mm? -78.7 106.68 10.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.4 OUTLIER -93.83 160.15 14.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 5.1 m-20 81.02 55.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.5 mt -118.85 172.52 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.454 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 15.5 tttm -87.07 157.76 19.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -90.65 127.54 36.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.9 t80 57.71 44.36 20.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.053 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.454 ' HB2' ' HG2' ' A' ' 86' ' ' LYS . . . -125.72 142.78 51.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -74.95 133.58 41.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 18.7 m-85 -135.9 127.9 29.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.21 100.26 1.07 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.521 HG12 ' HB2' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -100.72 163.4 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.27 128.43 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.615 HG11 ' CD2' ' A' ' 36' ' ' TRP . 11.5 t -98.42 148.13 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -153.36 139.86 18.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 1.015 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.2 133.54 35.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 2.3 p90 -129.17 137.21 51.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 15' ' ' PRO . 10.5 p30 -124.2 178.31 5.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -64.33 -13.15 48.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.35 -18.52 31.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.46 -169.58 25.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.1 m -108.07 153.58 22.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -102.03 -175.84 27.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 157.3 42.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 p -82.29 160.22 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.46 176.77 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.82 118.31 6.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -65.04 120.35 12.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.76 HD13 HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -99.78 -163.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.409 ' H ' HG22 ' A' ' 110' ' ' ILE . 13.0 p-10 -151.77 138.06 18.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.525 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -152.05 100.0 2.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.1 m -68.61 127.93 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.439 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.68 164.81 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 115' ' ' LEU . 10.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 121.18 6.44 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -91.85 35.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.706 ' HA3' HD13 ' A' ' 43' ' ' LEU . . . -173.07 137.23 4.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -75.02 173.57 14.29 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.66 ' HG3' HG12 ' A' ' 95' ' ' VAL . 18.3 Cg_endo -75.03 150.58 38.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' LYS . 38.6 mtp -107.95 168.65 9.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.5 t0 56.14 27.21 11.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.767 HG23 HD13 ' A' ' 110' ' ' ILE . 1.2 m -85.47 118.26 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -153.57 146.79 24.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.05 HD12 HG22 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -89.19 164.98 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -160.35 116.88 1.46 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.43 ' HB2' ' CD2' ' A' ' 115' ' ' LEU . 18.4 Cg_endo -74.96 114.52 4.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.525 HG23 HG23 ' A' ' 28' ' ' THR . 1.5 m -107.44 -36.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.525 HG23 HG23 ' A' ' 27' ' ' VAL . 42.2 p -119.25 -164.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -91.04 -40.94 11.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.421 ' C ' ' HG ' ' A' ' 31' ' ' SER . 77.4 mt-30 -121.88 52.24 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.421 ' HG ' ' C ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -174.34 140.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.485 HG13 HD12 ' A' ' 85' ' ' LEU . 85.7 mt -133.4 149.03 30.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 58.8 tt0 -95.53 145.89 24.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.05 HG22 HD12 ' A' ' 24' ' ' LEU . 21.7 t -130.36 106.12 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.567 ' CG2' HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -114.56 132.86 56.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.375 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.596 ' CH2' HD11 ' A' ' 53' ' ' ILE . 48.1 p90 -142.94 177.27 8.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 107.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' MET . 7.3 mttt -128.78 164.9 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . . . -44.48 137.12 4.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.02 105.92 2.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.458 1.767 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.7 OUTLIER 47.65 -174.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -113.79 -52.41 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -90.68 36.37 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.706 HD13 ' HA3' ' A' ' 17' ' ' GLY . 13.6 mt -131.02 -41.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' A' ' 43' ' ' LEU . 5.5 mt-30 -32.46 -44.54 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 58.95 46.59 13.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.98 160.15 20.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.7 t -48.64 155.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.603 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.7 mm -104.49 134.64 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -85.35 -27.91 25.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.437 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 170.46 -178.08 43.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 1.022 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 9.2 m-85 -135.56 154.51 51.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -107.68 130.47 54.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.596 HD11 ' CH2' ' A' ' 36' ' ' TRP . 4.4 mp -113.51 101.34 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.5 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -97.65 107.57 3.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.481 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 53.6 p90 -121.32 144.98 48.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.96 145.94 20.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.531 ' HA ' ' CD1' ' A' ' 91' ' ' TYR . 1.6 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 7.8 m-85 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.497 0.189 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.1 m -66.7 106.69 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.956 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.5 HD13 ' CA ' ' A' ' 54' ' ' GLY . 35.5 mm -90.97 141.76 13.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.593 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -134.16 112.06 15.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -86.08 134.7 33.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.255 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 3.1 ppp? -141.77 -174.36 4.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.417 ' O ' ' SD ' ' A' ' 71' ' ' MET . 3.6 mttm -104.21 158.96 16.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.2 96.9 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.0 p -53.68 -50.72 65.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.82 -134.19 2.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.574 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 69.9 m-20 -76.63 -35.3 58.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.401 ' O ' ' OE2' ' A' ' 78' ' ' GLU . 59.8 p -113.7 154.05 27.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.535 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 28.1 mm-40 -139.64 169.12 18.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.567 HG23 ' CG2' ' A' ' 35' ' ' THR . 7.5 p -151.15 150.67 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.473 ' CD1' HD12 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -147.23 136.81 22.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.2 m -104.55 94.54 5.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.426 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.496 HD21 ' CG2' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -69.66 121.05 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -115.12 167.75 10.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER 79.07 45.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.485 HD12 HG13 ' A' ' 32' ' ' ILE . 22.7 mt -104.85 -170.78 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.93 -171.81 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -107.59 131.49 54.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.7 t80 39.08 65.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.72 139.77 31.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -74.28 134.06 42.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 12.0 m-85 -134.41 123.06 23.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.8 133.26 11.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 94' ' ' VAL . 0.2 OUTLIER -135.5 163.22 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.491 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 10.9 m -136.26 119.45 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.66 HG12 ' HG3' ' A' ' 19' ' ' PRO . 37.1 t -90.09 140.65 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -153.62 137.29 16.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 1.022 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.44 134.84 34.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 7.1 p90 -128.09 136.59 51.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -124.7 177.73 5.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -62.05 -23.42 66.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.76 -25.0 56.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 143.42 -176.2 23.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.2 m -98.81 157.02 16.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.759 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -111.87 -167.66 18.09 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.502 1.126 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.0 41.87 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.15 160.15 14.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.45 ' OG ' HG21 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -74.79 179.03 5.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -65.05 122.89 18.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 108' ' ' SER . 39.8 tt0 -37.85 104.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.838 HD12 ' CD2' ' A' ' 24' ' ' LEU . 9.0 pt -95.28 171.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 5.7 p-10 -154.63 174.92 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . 176.1 110.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 m -77.82 130.05 36.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.42 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.413 HG23 HD11 ' A' ' 32' ' ' ILE . 4.7 p -57.86 172.23 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.445 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 26' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.493 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.11 132.67 15.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -103.0 40.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.14 136.9 4.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.28 13.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.565 ' HG3' HG12 ' A' ' 95' ' ' VAL . 18.2 Cg_endo -75.03 164.85 32.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.9 mtp -119.52 166.42 13.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t0 52.28 29.98 7.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.842 HG23 HD13 ' A' ' 110' ' ' ILE . 1.1 m -84.85 119.8 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.1 t -151.27 164.41 36.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.839 ' CD2' HG22 ' A' ' 34' ' ' VAL . 87.6 mt -107.83 167.34 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -166.93 121.28 0.84 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HB2' ' CD2' ' A' ' 115' ' ' LEU . 18.3 Cg_endo -75.03 117.15 4.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.557 1.82 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.621 HG23 HG23 ' A' ' 28' ' ' THR . 2.1 m -102.49 -36.91 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.621 HG23 HG23 ' A' ' 27' ' ' VAL . 18.4 p -124.91 -151.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.6 m -112.7 -11.22 13.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -134.65 28.17 3.62 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -159.7 166.66 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.602 HG13 HD12 ' A' ' 85' ' ' LEU . 53.9 mt -152.79 142.07 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -89.52 145.21 25.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.839 HG22 ' CD2' ' A' ' 24' ' ' LEU . 21.5 t -134.22 113.51 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.63 134.96 54.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.469 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CH2' HD11 ' A' ' 53' ' ' ILE . 27.4 p90 -148.18 163.06 38.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 107.961 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.7 159.0 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 76' ' ' ASP . . . -44.97 145.83 1.53 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.98 167.66 26.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.772 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -37.24 149.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -76.88 -44.16 33.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.81 -1.82 23.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.0 mt -118.15 3.91 12.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -70.27 -39.55 74.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 50.81 37.06 16.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.57 -161.73 16.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.55 HG22 ' H ' ' A' ' 48' ' ' ILE . 6.2 p -89.96 171.94 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 0.756 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.55 ' H ' HG22 ' A' ' 47' ' ' VAL . 3.0 mm -117.38 133.97 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -96.16 -28.29 14.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.571 ' HA3' ' CZ ' ' A' ' 98' ' ' PHE . . . 179.33 173.53 44.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.953 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 5.8 m-85 -129.16 151.95 49.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.421 ' NE2' HG21 ' A' ' 68' ' ' ILE . 54.9 mt-30 -106.86 128.85 54.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.718 ' O ' HG22 ' A' ' 69' ' ' VAL . 4.9 mp -111.06 102.88 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.486 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -94.62 107.65 3.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.084 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.572 ' CE1' HD12 ' A' ' 82' ' ' LEU . 34.0 p90 -124.0 142.68 50.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 0.812 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 1.5 ptm180 -156.92 143.31 18.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 1.2 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD1' ' HG2' ' A' ' 56' ' ' ARG . 14.5 m-85 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.522 0.201 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.5 m -62.53 108.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.486 HD13 ' CA ' ' A' ' 54' ' ' GLY . 39.9 mm -86.08 144.41 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -139.18 113.11 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -84.1 130.01 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 80' ' ' TYR . 7.3 ptm -144.62 148.42 34.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -72.26 150.18 43.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.38 109.16 20.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 77' ' ' SER . 46.3 p -52.24 -26.86 12.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.91 -136.01 4.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.555 1.159 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.59 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 81.4 m-20 -61.57 -33.75 74.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.415 ' O ' ' OG1' ' A' ' 74' ' ' THR . 12.3 p -119.56 150.29 40.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.453 ' OE1' ' NE1' ' A' ' 36' ' ' TRP . 6.9 mp0 -141.46 161.95 36.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 34' ' ' VAL . 7.5 p -151.91 149.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.458 ' CD1' ' SD ' ' A' ' 71' ' ' MET . 13.1 t80 -146.61 149.1 32.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -118.17 107.16 13.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.412 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.731 HD11 HG21 ' A' ' 69' ' ' VAL . 2.7 mm? -77.38 106.16 8.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.3 OUTLIER -93.79 164.67 13.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 10.1 m-80 78.49 49.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.602 HD12 HG13 ' A' ' 32' ' ' ILE . 21.0 mt -112.86 162.98 15.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 176.9 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -100.75 133.59 44.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.415 ' N ' ' OG1' ' A' ' 114' ' ' THR . 6.1 t80 44.71 66.95 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.98 137.71 25.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -74.57 120.97 20.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 9.9 m-85 -119.81 123.31 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.12 126.03 8.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.534 ' CG1' ' CB ' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -129.2 164.11 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.6 122.36 52.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.565 HG12 ' HG3' ' A' ' 19' ' ' PRO . 39.6 t -89.37 146.16 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -152.88 136.63 16.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.953 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -93.53 131.8 38.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.571 ' CZ ' ' HA3' ' A' ' 50' ' ' GLY . 1.6 p90 -124.79 138.71 54.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.411 ' ND2' ' HD3' ' A' ' 15' ' ' PRO . 25.1 p30 -122.23 178.5 4.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -27.68 64.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.74 -21.79 61.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.84 -159.02 26.42 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.538 HG23 ' HB3' ' A' ' 98' ' ' PHE . 11.5 m -109.32 153.7 23.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.98 -162.81 21.16 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 164.9 32.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.3 157.93 16.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 108' ' ' SER . 2.4 p -85.85 167.07 15.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 107' ' ' SER . 0.9 OUTLIER -39.9 159.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -81.92 84.31 6.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.842 HD13 HG23 ' A' ' 22' ' ' VAL . 23.7 pt -68.79 169.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 8.1 m-80 -153.16 173.55 15.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.685 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . 178.49 97.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.2 m -67.64 126.99 31.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 88' ' ' PHE . 4.9 p -55.85 171.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.07 -57.82 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 110.036 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 t -115.32 136.74 52.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.62 -135.83 3.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -166.31 124.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 0.745 . . . . 0.0 109.99 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 p -144.83 116.87 8.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.014 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.69 66.54 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 8' ' ' ILE . 88.3 mt 41.24 67.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.3 p -177.16 100.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.97 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.525 ' O ' HG22 ' A' ' 10' ' ' THR . 1.0 OUTLIER -87.35 10.38 17.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -179.11 126.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -86.87 175.78 8.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . . . -144.87 143.97 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.73 151.23 15.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.45 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.1 Cg_endo -75.04 138.63 23.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.36 23.99 12.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.91 146.16 10.78 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.46 14.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.513 ' HG3' HG12 ' A' ' 95' ' ' VAL . 18.3 Cg_endo -75.02 161.9 37.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.6 mtp -103.65 178.36 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' THR . 49.6 t0 48.32 30.75 2.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.59 HG12 HD11 ' A' ' 110' ' ' ILE . 22.0 t -76.57 110.62 12.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 t -154.62 158.61 39.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.016 ' CD2' HG22 ' A' ' 34' ' ' VAL . 56.3 mt -107.01 160.18 15.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -159.06 118.23 1.72 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.563 ' HB2' HD13 ' A' ' 115' ' ' LEU . 18.3 Cg_endo -74.97 117.84 5.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.792 HG23 HG23 ' A' ' 28' ' ' THR . 3.0 m -102.78 -36.47 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.792 HG23 HG23 ' A' ' 27' ' ' VAL . 13.0 p -121.2 -144.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.433 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -107.95 -47.25 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -110.92 42.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.245 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.39 151.86 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.056 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.569 HD11 HG23 ' A' ' 114' ' ' THR . 86.2 mt -139.85 150.51 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -100.18 127.02 46.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.016 HG22 ' CD2' ' A' ' 24' ' ' LEU . 68.7 t -113.17 113.86 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.443 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.7 p -115.11 142.62 46.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.558 ' CD2' HG11 ' A' ' 95' ' ' VAL . 20.3 p90 -156.15 162.37 40.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 107.95 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -115.0 169.6 8.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.66 137.62 62.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 101.88 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? 46.86 -170.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -117.33 -44.89 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -76.0 -31.07 58.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 45' ' ' ASN . 58.9 mt -74.85 -33.25 62.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' LEU . 6.9 mt-30 -38.5 -31.36 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 43' ' ' LEU . 97.5 m-20 41.28 60.26 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.77 166.88 42.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 48' ' ' ILE . 71.5 t -52.04 166.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.559 HG21 ' CE1' ' A' ' 51' ' ' TYR . 5.1 mm -116.45 137.17 51.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -83.86 -31.96 25.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.58 178.79 41.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 1.008 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 6.8 m-85 -131.49 164.35 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 0.738 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.437 ' CD ' HG21 ' A' ' 68' ' ' ILE . 15.6 mt-30 -113.64 129.65 56.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.65 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.0 mp -113.92 98.67 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.449 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -95.34 119.57 6.22 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.617 ' CD1' HD22 ' A' ' 82' ' ' LEU . 23.4 p90 -129.74 145.24 51.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.571 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -156.44 146.12 20.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.543 ' HA ' ' CE1' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -47.4 157.75 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -109.01 25.57 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.79 162.6 56.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.98 29.61 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.502 1.791 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.48 -12.57 39.52 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.5 t -74.98 157.11 35.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.976 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -46.06 -38.45 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.04 -73.64 0.83 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -43.52 121.97 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 56' ' ' ARG . 14.0 m-85 -60.19 115.02 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.424 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 45.6 m -64.36 107.0 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.454 HD13 ' HA ' ' A' ' 68' ' ' ILE . 27.5 mm -84.56 145.25 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -135.89 118.16 21.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 71' ' ' MET . 2.1 tt0 -80.6 140.71 35.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.427 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 3.6 ppp? -149.32 178.38 8.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.416 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -117.37 151.87 36.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.29 100.51 11.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.3 p -60.8 -39.23 88.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.07 -144.57 4.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.32 -47.9 72.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.4 p -98.28 143.33 28.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.444 ' OE1' ' CE1' ' A' ' 51' ' ' TYR . 3.7 mt-10 -135.21 154.38 51.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.443 ' CG2' HG22 ' A' ' 35' ' ' THR . 10.3 p -150.31 150.89 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.26 121.21 10.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.7 m -86.23 100.6 12.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.65 HD11 ' CG2' ' A' ' 53' ' ' ILE . 11.5 mt -78.15 107.64 10.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.37 -175.66 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 62.06 57.92 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.44 HD12 HG13 ' A' ' 32' ' ' ILE . 38.6 mt -117.18 -176.57 3.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.18 177.8 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -100.13 128.72 46.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.356 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.8 t80 38.3 63.58 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.86 149.21 43.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -74.9 137.1 41.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 57' ' ' GLU . 5.4 m-85 -139.93 137.49 34.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.6 124.61 6.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.625 HG13 HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -131.21 157.94 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.79 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.406 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 16.5 m -126.05 163.22 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.558 HG11 ' CD2' ' A' ' 36' ' ' TRP . 25.1 t -134.81 134.67 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -143.7 143.92 31.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 1.008 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.48 123.09 34.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 2.9 p90 -120.79 129.01 53.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 102' ' ' GLY . 14.0 p30 -122.9 178.3 5.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -64.97 -26.68 68.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' ' 13' ' ' ALA . . . -70.57 -26.21 63.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.422 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 148.52 -171.15 28.95 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.533 1.145 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.9 m -109.55 160.24 16.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.15 -171.52 17.39 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.33 31.5 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.461 1.769 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.9 p -87.46 172.71 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.49 162.46 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.58 113.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -45.52 124.3 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.59 HD11 HG12 ' A' ' 22' ' ' VAL . 1.6 pt -112.33 -178.31 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 9.4 p-10 -152.65 172.91 15.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.543 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . 177.85 99.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.2 m -64.79 116.45 6.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.569 HG23 HD11 ' A' ' 32' ' ' ILE . 11.7 p -49.41 157.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.563 HD13 ' HB2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -54.1 171.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.29 9.93 31.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.92 170.19 22.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -73.72 174.78 48.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 166.05 30.04 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.34 126.41 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.2 m -64.16 96.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -165.68 116.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 m 57.25 173.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.63 -162.74 11.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.17 89.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.767 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.0 136.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.28 136.41 4.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.3 pt -107.1 157.69 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.75 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.5 p -149.05 72.85 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.052 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.512 HG22 ' H ' ' A' ' 11' ' ' GLU . 3.4 m -98.66 -144.93 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.512 ' H ' HG22 ' A' ' 10' ' ' THR . 0.0 OUTLIER -138.72 54.6 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.0 162.91 18.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.14 145.01 51.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -48.56 163.49 0.31 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.96 143.61 29.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -114.61 46.27 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.94 140.32 4.62 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.79 15.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 158.51 42.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.4 ' O ' ' N ' ' A' ' 37' ' ' LYS . 47.8 mmm -102.18 172.6 6.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 57.6 t0 53.31 21.15 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.927 HG11 ' OG ' ' A' ' 107' ' ' SER . 89.4 t -65.92 106.2 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 t -150.41 154.57 37.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.963 ' CD2' HG22 ' A' ' 34' ' ' VAL . 26.3 mt -106.86 165.43 11.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -164.86 118.07 0.96 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 107.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.426 1.75 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.811 HG23 HG23 ' A' ' 28' ' ' THR . 3.5 m -92.98 -34.29 5.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.811 HG23 HG23 ' A' ' 27' ' ' VAL . 13.5 p -120.21 -154.04 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.43 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 p -111.84 -12.03 13.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -135.48 18.25 3.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 6.4 t -146.93 166.41 26.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.7 mt -147.76 147.71 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -100.83 110.26 22.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.963 HG22 ' CD2' ' A' ' 24' ' ' LEU . 62.4 t -99.14 108.68 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -114.07 138.96 49.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.799 ' CE3' HG11 ' A' ' 95' ' ' VAL . 14.3 p90 -148.07 -176.93 5.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 108.028 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.2 mtpt -136.73 162.15 33.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -48.27 141.79 8.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 167.77 26.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.673 ' HB2' HD12 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -37.94 139.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -51.93 45.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -64.78 -12.86 52.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.673 HD12 ' HB2' ' A' ' 40' ' ' LYS . 95.4 mt -104.16 -20.39 13.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 40' ' ' LYS . 4.9 mt-30 -54.29 -35.68 62.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 50.24 40.11 21.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.83 171.0 20.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.0 m -53.92 -178.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.556 HG21 ' CE1' ' A' ' 51' ' ' TYR . 5.5 mm -128.04 150.03 33.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -100.24 -31.12 11.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.405 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 173.77 177.1 42.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 1.003 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.0 m-85 -132.78 150.62 52.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -101.08 129.96 47.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.846 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.1 mp -108.94 96.73 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.435 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -95.58 123.66 7.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.809 ' CB ' HG22 ' A' ' 93' ' ' VAL . 32.0 p90 -145.87 143.83 29.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.567 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 2.0 ptm180 -156.64 148.16 22.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -48.2 148.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.364 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.74 37.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.74 164.45 53.31 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.8 3.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.439 1.757 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 42.93 59.27 3.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' ASN . 4.0 t -78.28 1.18 22.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.043 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 62' ' ' SER . 51.2 m-80 39.25 57.08 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.09 83.77 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -40.19 129.29 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 15.1 m-85 -38.96 115.89 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.606 ' OG ' ' CE1' ' A' ' 55' ' ' TYR . 54.2 p -61.84 109.15 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.968 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.435 HD13 ' CA ' ' A' ' 54' ' ' GLY . 38.2 mm -88.17 145.03 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.588 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -137.63 117.16 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 71' ' ' MET . 3.2 tt0 -80.56 140.62 35.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 2.0 ppp? -148.15 -176.65 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 111.006 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.484 ' HE3' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -122.89 149.7 43.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.88 130.56 37.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.376 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.484 HG22 ' HE3' ' A' ' 72' ' ' LYS . 69.8 p -111.53 27.1 9.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.418 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.39 -158.49 23.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.1 -28.55 62.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.767 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.1 p -112.46 141.13 46.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.593 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 2.6 mt-10 -136.07 153.77 51.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 34' ' ' VAL . 12.1 p -148.26 149.82 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -145.06 119.93 9.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.9 m -85.63 94.17 9.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.454 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.846 HD11 ' CG2' ' A' ' 53' ' ' ILE . 27.3 mt -72.41 106.73 4.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.85 -176.31 3.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.724 ' O ' HD23 ' A' ' 85' ' ' LEU . 12.1 m-20 62.59 65.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.724 HD23 ' O ' ' A' ' 84' ' ' ASN . 11.4 mt -130.25 177.01 7.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 170.12 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -99.11 136.94 38.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.5 t80 42.22 55.94 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.57 148.78 47.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -74.78 135.06 41.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -141.97 130.88 23.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.25 132.61 11.2 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.809 HG22 ' CB ' ' A' ' 55' ' ' TYR . 24.3 t -126.72 154.22 36.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 0.734 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.44 120.12 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.799 HG11 ' CE3' ' A' ' 36' ' ' TRP . 17.9 t -98.62 146.04 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -150.37 143.1 24.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 1.003 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.19 117.75 29.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -114.93 133.81 55.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.534 ' OD1' HG23 ' A' ' 48' ' ' ILE . 0.4 OUTLIER -124.22 170.59 10.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -25.88 64.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.18 -23.17 60.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.43 -172.64 29.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.2 m -108.58 148.69 29.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -101.84 -176.29 28.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.431 1.082 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 154.63 42.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.418 1.746 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.71 166.36 13.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.927 ' OG ' HG11 ' A' ' 22' ' ' VAL . 4.2 p -83.35 161.66 21.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.1 119.01 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -41.19 122.69 1.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.591 HD11 HG12 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -110.77 -172.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -151.05 173.45 14.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -179.03 77.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.9 m -47.78 112.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.0 p -48.21 148.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 35.4 mt -40.77 145.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 116' ' ' GLU . 12.3 tt0 -77.95 -0.74 28.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.0 m 61.82 93.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.033 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.28 -162.42 27.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 106.69 2.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.552 1.817 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.7 p -141.89 -61.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.88 -61.71 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.991 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.33 119.44 4.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -173.1 157.17 3.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.03 92.69 0.73 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -170.19 156.74 5.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.13 -59.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.986 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.83 -126.29 9.84 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.8 mm -93.33 132.49 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -173.84 111.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 11' ' ' GLU . 3.5 m -84.71 -141.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.451 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.461 ' H ' HG22 ' A' ' 10' ' ' THR . 5.6 mt-10 -94.99 30.16 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 11' ' ' GLU . 1.7 tt0 54.31 168.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.48 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . . . -138.95 143.01 38.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.0 151.8 1.08 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 123.08 7.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.554 ' O ' HD22 ' A' ' 43' ' ' LEU . 47.7 m-20 -93.64 46.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.647 ' HA3' HD13 ' A' ' 43' ' ' LEU . . . 174.41 141.51 3.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.16 21.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.51 1.795 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 18.1 Cg_endo -75.07 159.62 40.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.773 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' LYS . 6.0 mtp -99.85 174.58 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.2 t0 53.33 32.82 14.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.691 HG11 ' OG ' ' A' ' 107' ' ' SER . 33.9 t -74.38 106.89 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 t -153.33 154.64 34.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.048 ' CD2' HG22 ' A' ' 34' ' ' VAL . 18.9 mt -107.14 161.47 14.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.15 118.33 1.71 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.241 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.805 HG23 HG23 ' A' ' 28' ' ' THR . 4.0 m -109.26 -34.73 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.805 HG23 HG23 ' A' ' 27' ' ' VAL . 27.3 p -117.58 -164.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.0 m -90.56 -42.88 10.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -119.61 44.28 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.506 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.6 OUTLIER -164.12 148.34 9.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.954 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.527 HD11 ' CG2' ' A' ' 114' ' ' THR . 93.3 mt -134.63 155.84 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -104.96 125.59 51.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.048 HG22 ' CD2' ' A' ' 24' ' ' LEU . 85.6 t -110.43 111.62 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -114.44 142.47 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.69 ' CE3' HG11 ' A' ' 95' ' ' VAL . 13.6 p90 -153.68 178.36 9.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' MET . 2.5 mtpt -132.84 163.29 29.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.67 136.49 1.97 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.06 103.48 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER 45.66 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -117.4 -49.25 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -91.46 33.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.647 HD13 ' HA3' ' A' ' 17' ' ' GLY . 14.0 mt -130.33 -44.96 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' LEU . 47.0 mt-30 -36.75 -38.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 56.75 52.64 9.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.54 169.65 24.63 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.445 1.091 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.47 HG22 ' H ' ' A' ' 48' ' ' ILE . 9.8 p -54.25 168.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.862 HG21 ' CE1' ' A' ' 51' ' ' TYR . 7.4 mm -117.04 142.9 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.57 -31.22 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.578 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 175.81 -179.99 46.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.976 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 18.6 m-85 -137.31 161.04 37.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.743 ' C ' HD12 ' A' ' 53' ' ' ILE . 37.7 mt-30 -111.12 158.26 19.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.882 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.6 mp -139.57 101.98 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.425 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -95.8 115.41 5.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.501 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 34.9 p90 -126.94 146.26 50.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.736 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.573 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.97 132.29 9.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 3.5 tt0 -40.34 124.71 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -87.2 46.67 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -92.27 158.6 38.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.05 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 99.88 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.45 51.2 2.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.5 m -89.4 172.3 9.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.738 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.63 -53.53 37.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.36 -56.39 0.5 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.2 mp0 -46.36 119.6 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 15.2 m-85 -81.36 126.33 31.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.501 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 16.9 m -72.46 107.29 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.443 ' HA ' HD13 ' A' ' 68' ' ' ILE . 31.3 mm -84.47 147.26 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -142.99 112.65 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -82.07 135.57 35.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.262 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.55 ' HB3' ' CE1' ' A' ' 80' ' ' TYR . 8.2 ptm -144.53 151.5 39.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.37 160.57 32.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.15 129.23 40.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.9 p -103.08 39.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.85 -155.43 17.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.89 -42.16 97.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.8 p -97.46 131.75 43.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 12.3 mp0 -135.61 145.42 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 34' ' ' VAL . 11.8 p -142.42 149.61 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 71' ' ' MET . 25.9 t80 -139.36 129.69 25.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.5 m -85.29 100.62 11.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.882 HD11 ' CG2' ' A' ' 53' ' ' ILE . 28.6 mt -81.27 108.33 14.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.48 -174.37 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 61.7 54.87 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.5 mt -113.98 -179.02 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 155.09 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -79.98 134.7 36.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.1 t80 39.99 66.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.79 142.11 25.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -74.69 140.78 44.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 6.4 m-85 -141.31 123.75 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.19 116.8 5.56 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.56 HG13 HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -127.01 162.07 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.474 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 31.6 m -126.68 178.71 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.69 HG11 ' CE3' ' A' ' 36' ' ' TRP . 17.1 t -147.71 141.19 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -151.45 147.85 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.976 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.41 136.75 32.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 3.5 p90 -129.49 131.12 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -124.29 178.37 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -65.25 -16.27 63.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.48 ' HB1' ' HA ' ' A' ' 13' ' ' ALA . . . -82.29 -26.04 33.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.239 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.98 -164.14 29.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 15.8 m -114.05 156.34 24.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -104.08 179.27 24.94 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 156.58 43.22 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.9 p -75.46 173.14 11.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.691 ' OG ' HG11 ' A' ' 22' ' ' VAL . 5.6 p -108.31 161.54 14.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.96 116.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -50.63 128.15 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.654 HD12 ' HG ' ' A' ' 24' ' ' LEU . 2.5 pt -111.18 -178.78 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -152.43 159.44 43.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -171.99 96.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.1 m -66.63 114.29 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.527 ' CG2' HD11 ' A' ' 32' ' ' ILE . 26.4 p -46.94 155.74 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.42 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -48.71 175.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 116' ' ' GLU . 17.8 tt0 -97.43 -2.58 41.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.3 t 63.51 123.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -149.23 -175.91 22.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 96.09 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.35 90.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.0 m -84.42 116.12 22.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -107.21 92.75 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 110.054 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.3 p -148.56 134.97 19.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.04 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.19 163.64 35.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.79 163.39 5.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -149.53 155.12 39.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.48 71.72 0.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.7 mt 64.93 113.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.29 90.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.65 111.53 10.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 68.76 126.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -134.66 179.06 6.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.48 145.23 40.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -54.1 163.51 1.2 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.99 149.12 36.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -118.94 44.42 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.1 146.15 5.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.4 14.57 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 165.99 30.1 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.8 mtp -103.46 178.53 4.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t70 47.92 31.97 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.838 HG12 HD11 ' A' ' 110' ' ' ILE . 45.1 t -77.24 108.32 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.1 t -148.83 159.19 44.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.004 ' CD2' HG22 ' A' ' 34' ' ' VAL . 71.3 mt -110.6 165.44 11.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -166.64 118.42 0.78 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.478 ' HB2' ' CD1' ' A' ' 115' ' ' LEU . 18.2 Cg_endo -75.05 109.95 3.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.797 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 m -97.59 -33.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.484 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -130.51 172.53 11.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.422 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -80.5 -12.89 59.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -134.34 39.64 3.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -171.17 168.52 6.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.016 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.498 HG13 HD12 ' A' ' 85' ' ' LEU . 41.8 mt -153.74 140.94 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -91.83 132.38 36.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.004 HG22 ' CD2' ' A' ' 24' ' ' LEU . 94.4 t -124.18 114.36 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.46 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.9 p -116.16 143.61 45.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.792 ' CD2' HG11 ' A' ' 95' ' ' VAL . 22.5 p90 -155.59 161.78 40.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -114.69 173.72 6.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.431 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -57.23 138.37 80.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 97.74 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.515 1.797 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.569 ' HB2' HD12 ' A' ' 43' ' ' LEU . 0.9 OUTLIER 44.61 -167.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -116.79 -45.85 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.35 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.99 -20.57 57.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 40' ' ' LYS . 75.2 mt -82.14 -30.14 31.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -42.4 -37.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 45.43 44.61 9.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.1 157.97 23.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.0 t -48.85 157.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.513 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.2 mm -107.28 150.35 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -100.26 -33.68 10.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 175.9 176.42 44.1 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.993 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 6.8 m-85 -131.9 144.98 51.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -93.66 125.05 38.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.905 HG21 HD21 ' A' ' 82' ' ' LEU . 4.6 mp -105.71 95.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.489 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -88.96 127.06 8.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.573 ' CE1' HD12 ' A' ' 82' ' ' LEU . 52.9 p90 -141.16 139.35 33.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.3 OUTLIER -156.49 155.22 31.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.537 ' HA ' ' CE1' ' A' ' 91' ' ' TYR . 1.3 tt0 -56.28 129.44 40.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -94.22 42.51 1.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.17 164.65 59.69 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 90.78 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.441 1.758 . . . . 0.0 111.059 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.49 46.95 3.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.99 155.49 27.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -137.98 72.98 1.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -143.61 99.02 0.22 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.518 1.137 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -38.53 123.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.565 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 11.2 m-85 -38.89 115.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -64.39 105.62 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.489 HD13 ' CA ' ' A' ' 54' ' ' GLY . 30.7 mm -85.45 152.4 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -144.51 116.85 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.58 140.1 35.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.438 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -148.32 -176.26 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -120.82 148.43 44.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.0 111.43 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.7 p -67.9 -38.92 83.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.41 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.43 -140.63 3.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -20.23 61.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 80.9 p -129.16 143.62 50.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 12.5 mp0 -134.6 153.13 52.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.46 ' CG2' HG22 ' A' ' 35' ' ' THR . 9.4 p -143.48 150.8 17.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.479 ' CE1' HD13 ' A' ' 82' ' ' LEU . 5.1 t80 -146.52 143.74 29.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 3.3 m -116.09 102.32 9.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.905 HD21 HG21 ' A' ' 53' ' ' ILE . 2.9 mm? -75.01 106.51 6.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.78 172.52 8.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 21.8 m120 67.23 60.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.498 HD12 HG13 ' A' ' 32' ' ' ILE . 52.6 mt -120.41 145.85 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -57.8 -179.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 88' ' ' PHE . 36.6 mtpt -104.21 141.09 36.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 116' ' ' GLU . 9.4 t80 35.02 40.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.424 ' C ' HG23 ' A' ' 113' ' ' THR . . . -114.28 141.46 47.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -74.59 128.89 36.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.537 ' CE1' ' HA ' ' A' ' 57' ' ' GLU . 14.8 m-85 -131.67 145.02 51.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -120.95 110.09 1.65 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.564 HG22 ' CB ' ' A' ' 55' ' ' TYR . 85.4 t -101.84 155.79 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.774 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 m -137.09 143.51 34.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.792 HG11 ' CD2' ' A' ' 36' ' ' TRP . 14.7 t -122.2 145.15 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 12.0 pt20 -153.11 144.88 23.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.993 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.2 122.14 33.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 2.2 p90 -123.06 129.95 52.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -124.23 172.71 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -25.87 64.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.18 -24.69 63.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.32 -169.88 28.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.44 HG23 ' CB ' ' A' ' 98' ' ' PHE . 6.9 m -112.3 155.97 23.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 110.435 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.38 -174.1 17.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.539 1.15 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.51 42.77 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.469 1.773 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -99.61 172.98 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.96 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.605 ' OG ' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -83.06 160.21 21.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -57.61 115.43 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 108' ' ' SER . 24.8 tt0 -38.16 122.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.838 HD11 HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -95.21 -166.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -151.52 146.32 25.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -169.09 90.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.424 HG23 ' C ' ' A' ' 89' ' ' ALA . 54.7 m -69.05 108.47 3.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.47 HG22 HD11 ' A' ' 32' ' ' ILE . 74.8 p -38.95 158.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.435 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.64 HD22 ' H ' ' A' ' 115' ' ' LEU . 0.4 OUTLIER -45.09 168.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . 17.3 tt0 -93.52 -2.15 54.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.34 120.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 178.55 -139.96 4.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 123.76 8.13 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.2 99.22 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.31 -59.56 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.461 1.1 . . . . 0.0 110.976 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m 60.46 149.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 110.017 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m 60.77 169.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.89 177.41 14.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.28 151.18 50.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 m -158.14 123.51 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.57 98.23 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 mt 66.48 112.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.56 116.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 11' ' ' GLU . 2.8 m -89.35 -142.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' H ' HG22 ' A' ' 10' ' ' THR . 0.1 OUTLIER -134.95 40.51 2.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.531 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -47.61 170.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.478 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . . . -152.36 145.77 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.14 153.05 1.73 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.16 42.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.49 ' O ' HD13 ' A' ' 43' ' ' LEU . 5.0 m-20 -123.95 55.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.85 143.72 3.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.96 17.29 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.774 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.402 ' HG2' ' HA ' ' A' ' 39' ' ' PRO . 39.6 mmm -109.72 176.03 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' THR . 35.0 t70 51.73 25.45 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.752 HG11 ' OG ' ' A' ' 107' ' ' SER . 46.8 t -68.5 108.0 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -152.48 157.08 40.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.971 ' CD2' HG22 ' A' ' 34' ' ' VAL . 33.6 mt -107.87 166.69 10.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -166.86 117.3 0.74 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 109.84 3.01 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -93.97 -33.75 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.431 ' CB ' ' HG ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -131.7 -176.79 4.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -59.54 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.74 54.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.431 ' HG ' ' CB ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -174.17 131.0 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.961 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' THR . 96.5 mt -122.24 154.32 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -109.45 129.59 55.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.971 HG22 ' CD2' ' A' ' 24' ' ' LEU . 48.9 t -116.06 113.32 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 21' ' ' ASP . 1.2 p -113.03 137.76 50.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.61 ' CD2' HG11 ' A' ' 95' ' ' VAL . 22.7 p90 -151.32 161.34 42.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -116.33 156.64 26.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -41.5 143.94 0.81 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.03 172.05 17.12 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.449 1.763 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -38.09 131.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -61.07 -54.61 42.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -61.19 -14.33 24.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 16' ' ' ASP . 79.8 mt -113.71 48.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -113.84 -40.32 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 55.97 41.35 29.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.77 -176.45 19.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.7 t -70.62 159.56 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.788 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.5 mm -105.73 141.67 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 49' ' ' ARG . 5.6 mmm180 -88.51 -44.83 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.425 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . -172.97 172.67 45.25 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.14 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.93 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.0 m-85 -129.77 136.42 49.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -85.93 133.83 33.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.734 HG21 HD21 ' A' ' 82' ' ' LEU . 4.2 mp -112.35 96.4 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 93' ' ' VAL . . . -92.07 108.3 3.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.467 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 28.1 p90 -121.97 143.11 49.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.582 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -156.64 143.29 18.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.49 ' HA ' ' CD1' ' A' ' 91' ' ' TYR . 1.5 tt0 -47.4 129.74 13.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.4 ' CG ' ' OE1' ' A' ' 90' ' ' GLN . 18.9 t-20 -90.31 41.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.15 161.95 73.3 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.053 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 106.83 2.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.85 48.26 17.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.96 151.44 25.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.961 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -129.98 71.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -140.71 96.39 0.21 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' GLY . 9.8 pt20 -38.54 133.56 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 11.8 m-85 -46.4 114.81 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.45 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 66.0 m -64.49 104.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 39.3 mm -85.36 147.76 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.482 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -144.05 117.47 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -80.34 138.47 36.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 3.0 ppp? -145.22 -175.88 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.405 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -123.93 150.45 44.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.51 119.71 21.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.5 p -95.96 27.36 3.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.8 -146.15 16.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -81.13 -29.13 34.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 109.36 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.5 p -110.11 138.29 46.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.475 ' OE1' ' CE1' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -137.02 146.68 45.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.347 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 11.1 p -142.1 151.36 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.596 ' CD1' HD13 ' A' ' 82' ' ' LEU . 3.4 t80 -142.82 135.8 28.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 24.3 m -106.14 101.26 10.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.734 HD21 HG21 ' A' ' 53' ' ' ILE . 2.6 mm? -78.44 106.66 10.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.05 -177.47 4.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 61.52 48.52 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.073 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.5 mt -107.98 167.45 9.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -76.91 179.11 6.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' PHE . 7.1 mttm -101.04 130.51 47.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.522 ' CG ' ' HB2' ' A' ' 116' ' ' GLU . 7.4 t80 37.58 63.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 111.042 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.52 145.97 43.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.4 ' OE1' ' CG ' ' A' ' 58' ' ' ASN . 17.6 tt0 -74.39 133.25 42.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.49 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 4.3 m-85 -135.1 134.06 39.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.35 125.28 6.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.617 HG13 HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -126.03 161.3 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 109.357 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 6.2 m -137.9 125.23 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.61 HG11 ' CD2' ' A' ' 36' ' ' TRP . 19.0 t -97.48 146.13 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -146.9 145.74 29.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.93 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.53 121.59 33.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 1.0 OUTLIER -125.34 131.47 53.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.527 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 21.2 p30 -124.17 177.25 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -62.6 -19.54 63.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.531 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . . . -78.61 -25.59 45.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 151.03 -159.59 28.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.409 HG23 ' CB ' ' A' ' 98' ' ' PHE . 25.4 m -124.75 147.33 48.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.1 -169.57 26.05 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.91 42.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.5 1.789 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -91.01 166.93 12.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.752 ' OG ' HG11 ' A' ' 22' ' ' VAL . 93.2 p -87.64 157.1 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.12 162.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -87.75 124.06 33.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.654 HD11 HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -108.91 -172.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -150.98 158.09 43.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.628 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -169.32 89.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.4 m -59.0 131.71 51.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.8 p -61.59 176.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 31.9 mt -84.97 142.47 29.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 116' ' ' GLU . 14.0 tt0 -91.88 -0.66 57.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.1 m 60.73 109.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -170.38 -156.37 11.2 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 132.57 15.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.5 m -110.32 103.73 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.0 t -145.65 131.43 19.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.61 99.96 3.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 0.745 . . . . 0.0 109.96 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t 74.95 -58.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.55 -84.04 1.4 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -93.25 134.16 35.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -145.09 -60.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.959 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.04 74.25 0.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.9 mt -96.59 72.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.45 107.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.511 HG22 ' H ' ' A' ' 11' ' ' GLU . 3.7 m -90.7 -143.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.511 ' H ' HG22 ' A' ' 10' ' ' THR . 4.5 pt-20 -176.16 124.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.29 -177.91 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.63 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . . . -150.99 143.78 24.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.6 146.42 7.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 129.58 12.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.35 32.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -171.27 146.71 9.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.81 13.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.48 26.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.29 170.8 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 t0 48.27 44.23 19.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.541 HG11 ' OG ' ' A' ' 107' ' ' SER . 89.1 t -82.07 106.23 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.222 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 t -150.7 162.66 40.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.042 ' CD2' HG22 ' A' ' 34' ' ' VAL . 30.1 mt -117.01 157.98 24.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -161.04 117.77 1.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 121.15 6.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.6 HG23 HG23 ' A' ' 28' ' ' THR . 2.6 m -100.28 -34.12 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.6 HG23 HG23 ' A' ' 27' ' ' VAL . 64.5 p -117.78 -146.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.8 m -112.82 -24.47 9.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -128.39 38.38 3.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 5.8 t -163.5 166.9 22.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.03 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 81' ' ' THR . 58.5 mt -148.73 156.91 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -107.87 115.09 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.042 HG22 ' CD2' ' A' ' 24' ' ' LEU . 52.9 t -102.09 107.6 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.446 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.1 p -110.04 137.16 48.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.785 ' CD2' HG11 ' A' ' 95' ' ' VAL . 25.8 p90 -151.91 160.71 43.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 107.97 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -117.57 155.71 29.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.18 139.86 0.99 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.96 176.14 10.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.784 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.555 ' HB2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -38.58 142.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -56.4 5.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.01 -14.3 15.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' ' 40' ' ' LYS . 87.5 mt -101.9 -34.63 9.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' LYS . 3.6 mt-30 -37.73 -32.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . 56.0 m-20 49.56 48.53 21.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.03 176.77 34.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.51 HG22 ' N ' ' A' ' 48' ' ' ILE . 14.9 p -58.03 169.15 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.51 ' N ' HG22 ' A' ' 47' ' ' VAL . 4.7 mm -119.63 131.05 73.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -78.34 -27.39 47.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 173.61 -177.27 46.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.981 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 14.4 m-85 -135.46 163.26 30.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 0.736 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.527 ' C ' HD12 ' A' ' 53' ' ' ILE . 34.8 mt-30 -114.22 145.67 41.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.845 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.4 mp -127.36 97.19 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 93' ' ' VAL . . . -90.73 113.61 4.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.489 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 22.8 p90 -127.18 145.65 50.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 0.712 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.566 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 1.3 ptt180 -157.08 135.27 11.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.508 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 2.5 tt0 -47.51 124.96 7.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -88.5 45.62 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.79 168.11 8.55 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 81.81 2.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.65 44.47 0.24 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 p -40.6 158.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -55.62 -39.4 70.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.07 -111.2 0.41 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -90.17 176.29 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 110.32 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.566 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 8.1 m-85 -77.38 123.59 26.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.0 m -68.8 104.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.458 ' CG2' ' NE2' ' A' ' 52' ' ' GLN . 20.6 mm -84.4 123.88 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -124.58 112.82 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.54 137.18 32.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.427 ' HE1' ' HB3' ' A' ' 78' ' ' GLU . 1.6 ppp? -135.78 -177.03 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' O ' ' SD ' ' A' ' 71' ' ' MET . 2.4 mttm -97.03 155.65 16.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.38 101.79 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.413 ' H ' HG23 ' A' ' 74' ' ' THR . 55.3 p -50.19 -44.43 52.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.411 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.79 -126.81 1.06 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.78 -43.72 75.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.9 p -108.77 146.05 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.975 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.445 ' OE1' ' NE1' ' A' ' 36' ' ' TRP . 3.2 mp0 -138.49 147.85 43.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.446 ' CG2' HG22 ' A' ' 35' ' ' THR . 11.0 p -143.08 150.59 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -145.54 138.93 26.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 3.8 m -102.51 99.98 10.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.845 HD11 ' CG2' ' A' ' 53' ' ' ILE . 14.4 mt -77.62 106.37 9.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.28 -175.51 3.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 62.59 58.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.5 mt -116.8 -174.47 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.64 173.96 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -98.39 107.81 20.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.447 ' HB2' ' HA ' ' A' ' 116' ' ' GLU . 8.6 t80 58.69 72.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.02 150.0 33.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -74.6 130.42 39.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.508 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 2.1 m-85 -131.62 131.21 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -114.6 108.58 2.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.686 HG13 HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -117.5 156.23 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.5 m -125.79 152.48 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.785 HG11 ' CD2' ' A' ' 36' ' ' TRP . 23.0 t -122.3 139.75 48.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -148.28 144.99 27.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.981 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.23 132.38 36.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 1.8 p90 -127.38 133.65 50.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.567 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 16.5 p30 -124.11 178.5 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -66.37 -15.75 63.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.63 ' HB1' ' HA ' ' A' ' 13' ' ' ALA . . . -82.68 -25.7 32.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 150.29 -172.71 30.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 111.06 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.7 m -109.75 157.82 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.18 -176.08 26.46 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.6 41.87 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.804 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.96 152.1 38.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.541 ' OG ' HG11 ' A' ' 22' ' ' VAL . 83.0 p -81.45 169.43 17.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.13 118.3 6.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.84 124.52 20.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.525 HG22 ' H ' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -109.29 -163.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.525 ' H ' HG22 ' A' ' 110' ' ' ILE . 34.6 p30 -148.76 152.72 37.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -166.12 98.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.3 m -70.81 123.63 22.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 30.0 p -61.78 152.51 31.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.367 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.534 ' CD1' ' HA ' ' A' ' 119' ' ' PRO . 19.3 mt -51.95 146.14 8.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 116' ' ' GLU . 10.6 tt0 -88.81 2.65 53.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 118' ' ' GLY . 0.2 OUTLIER -173.52 103.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.447 ' O ' HD12 ' A' ' 115' ' ' LEU . . . 36.31 -150.34 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.534 ' HA ' ' CD1' ' A' ' 115' ' ' LEU . 18.4 Cg_endo -75.0 -55.41 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.809 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.48 -55.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.01 -57.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.13 -58.4 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 0.799 . . . . 0.0 110.021 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 t 63.08 163.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.08 -95.42 0.11 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.55 1.157 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 p -135.85 -58.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -158.02 82.91 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.024 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.2 -122.74 1.22 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.0 mt 64.74 137.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 t -125.92 -137.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.493 HG22 ' H ' ' A' ' 11' ' ' GLU . 4.8 m -82.01 -141.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' H ' HG22 ' A' ' 10' ' ' THR . 19.6 mt-10 -120.23 92.51 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.25 171.97 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.411 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . . . -145.56 143.9 30.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.96 157.06 0.29 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.404 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.1 Cg_endo -74.99 144.51 30.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.504 1.791 . . . . 0.0 110.967 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -114.86 37.95 3.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.96 139.96 5.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.81 13.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.3 mtp -108.9 173.14 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 49.83 40.86 21.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.739 HG11 ' OG ' ' A' ' 107' ' ' SER . 36.2 t -81.05 106.38 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -150.85 154.88 38.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.434 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.913 ' CD2' HG22 ' A' ' 34' ' ' VAL . 70.1 mt -105.69 165.82 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -164.52 118.47 1.0 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 114.52 4.04 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.458 1.768 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.742 HG23 HG23 ' A' ' 28' ' ' THR . 5.2 m -93.71 -37.82 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.742 HG23 HG23 ' A' ' 27' ' ' VAL . 26.2 p -126.25 -144.78 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.384 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.64 -23.72 10.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -126.25 38.19 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 11.6 t -168.9 156.53 7.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.705 HG13 HD12 ' A' ' 85' ' ' LEU . 63.0 mt -142.5 148.69 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -98.02 117.94 33.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.913 HG22 ' CD2' ' A' ' 24' ' ' LEU . 77.6 t -107.08 105.05 18.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.408 HG22 ' HB ' ' A' ' 79' ' ' VAL . 1.2 p -109.8 139.1 45.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.55 ' CH2' HD11 ' A' ' 53' ' ' ILE . 36.2 p90 -148.87 159.16 44.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 107.986 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 14.9 mttt -113.65 153.35 29.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 76' ' ' ASP . . . -39.93 142.89 0.64 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -74.97 174.77 12.21 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.816 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 39' ' ' PRO . 1.0 OUTLIER -39.56 148.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -77.59 -45.84 24.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.67 -11.17 60.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 mt -105.01 -13.87 15.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.35 -45.97 65.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 54.14 47.85 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.92 159.31 29.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.5 HG22 ' H ' ' A' ' 48' ' ' ILE . 11.7 p -48.75 170.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.5 ' H ' HG22 ' A' ' 47' ' ' VAL . 4.1 mm -116.33 137.78 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -87.15 -31.94 20.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.422 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 177.94 174.42 44.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.766 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 5.7 m-85 -129.81 143.23 50.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -93.5 130.24 39.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.881 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.8 mp -114.87 96.46 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -93.14 115.58 4.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 21.1 p90 -126.94 143.69 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -156.62 136.11 12.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -43.23 131.34 4.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -89.46 44.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.58 158.38 73.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.01 2.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.781 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.45 45.33 6.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.48 143.33 29.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.759 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -132.22 74.03 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -143.72 99.39 0.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -38.35 124.66 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 15.9 m-85 -41.16 121.79 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.544 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 50.3 m -70.07 106.73 3.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.2 mm -86.58 135.65 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.546 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -127.14 118.79 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -80.64 139.45 36.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.441 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 4.2 ppp? -147.32 178.9 8.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.518 ' NZ ' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -121.03 146.98 46.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.03 115.61 22.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.518 HG22 ' NZ ' ' A' ' 72' ' ' LYS . 43.9 p -72.36 -40.15 67.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 110.441 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.23 -128.37 1.04 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -83.75 -39.58 19.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.786 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 p -109.78 144.98 37.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 19.7 mm-40 -134.4 162.48 32.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.408 ' HB ' HG22 ' A' ' 35' ' ' THR . 8.4 p -149.85 152.3 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -146.34 123.3 11.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -88.2 93.7 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.881 HD11 ' CG2' ' A' ' 53' ' ' ILE . 15.8 mt -75.42 105.95 6.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.98 179.04 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.849 ' O ' HD23 ' A' ' 85' ' ' LEU . 6.9 m-80 63.88 68.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.849 HD23 ' O ' ' A' ' 84' ' ' ASN . 10.1 mt -134.59 133.25 40.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 145.26 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -78.27 140.92 38.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CE1' ' OE2' ' A' ' 116' ' ' GLU . 8.2 t80 44.32 62.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.03 141.67 23.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -74.85 125.06 28.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -120.67 124.13 44.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.15 119.55 6.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.772 HG13 HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -131.11 159.91 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.434 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 35.9 m -127.29 171.37 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.483 HG11 ' CD2' ' A' ' 36' ' ' TRP . 21.4 t -142.2 139.02 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -148.32 144.59 27.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.766 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.1 117.72 29.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 2.4 p90 -113.16 131.46 55.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -124.31 178.19 5.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -20.54 66.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.411 ' HB1' ' HA ' ' A' ' 13' ' ' ALA . . . -78.69 -16.44 57.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.18 -162.48 27.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.7 m -120.28 148.8 43.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 110.446 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -101.91 -178.54 27.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 155.66 43.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.15 177.34 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.02 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.739 ' OG ' HG11 ' A' ' 22' ' ' VAL . 15.3 p -102.39 165.62 11.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.73 121.99 2.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -52.3 117.88 3.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.674 HD12 ' HG ' ' A' ' 24' ' ' LEU . 4.2 pt -105.08 -177.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 22.8 m-80 -152.87 173.81 14.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -179.3 101.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.5 m -66.54 114.17 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.439 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.433 ' CG2' HD11 ' A' ' 32' ' ' ILE . 10.5 p -49.39 157.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 60.6 mt -53.41 169.04 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.564 ' OE2' ' CE1' ' A' ' 88' ' ' PHE . 2.4 mm-40 -77.48 0.79 21.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.3 t 64.68 138.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 139.55 157.25 7.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 112.85 3.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.3 t -176.77 152.52 0.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.0 m -139.03 105.76 5.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.0 p -153.12 156.53 38.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -179.62 152.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.16 162.38 13.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.76 162.13 27.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 p -132.19 160.93 34.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.57 174.67 13.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.593 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -92.79 137.76 21.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -101.39 68.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.529 HG22 ' H ' ' A' ' 11' ' ' GLU . 9.0 m -95.05 -137.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.529 ' H ' HG22 ' A' ' 10' ' ' THR . 9.6 pm0 -167.54 123.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -118.93 168.41 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.13 143.36 49.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.29 151.36 0.97 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 18.2 Cg_endo -75.03 108.89 2.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -84.62 50.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.702 ' HA3' HD13 ' A' ' 43' ' ' LEU . . . 177.89 138.48 3.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 168.99 23.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 155.35 43.26 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 41.9 mtp -101.59 177.22 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 35' ' ' THR . 13.1 t0 54.31 27.02 7.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.85 HG12 HD13 ' A' ' 110' ' ' ILE . 21.9 t -75.96 111.01 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -153.07 149.31 27.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.388 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.787 HD22 HG22 ' A' ' 34' ' ' VAL . 68.4 mt -100.44 164.69 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -167.06 118.84 0.75 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.29 6.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.819 HG23 HG23 ' A' ' 28' ' ' THR . 2.7 m -111.37 -35.48 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.819 HG23 HG23 ' A' ' 27' ' ' VAL . 7.9 p -117.57 -170.41 1.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.1 m -90.58 -21.42 21.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -136.53 47.45 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -168.16 166.71 12.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.6 mt -151.05 142.2 16.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -93.08 123.11 36.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.94 ' O ' HG23 ' A' ' 79' ' ' VAL . 50.4 t -111.78 128.15 68.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 21' ' ' ASP . 1.1 p -129.33 145.98 51.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.808 ' CD2' HG11 ' A' ' 95' ' ' VAL . 15.1 p90 -159.3 165.89 32.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 107.978 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.7 177.5 5.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -53.56 136.13 53.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 100.27 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.801 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? 46.48 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.31 -49.38 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -76.42 -4.33 41.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.702 HD13 ' HA3' ' A' ' 17' ' ' GLY . 53.8 mt -98.43 -32.41 11.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -42.79 -39.86 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 44.97 45.32 8.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.79 165.27 21.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 m -51.83 175.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.345 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.473 HG22 ' H ' ' A' ' 50' ' ' GLY . 4.8 mm -124.93 144.93 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -94.69 -22.02 18.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.473 ' H ' HG22 ' A' ' 48' ' ' ILE . . . 161.9 -176.82 38.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 1.088 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 8.4 m-85 -136.46 156.63 48.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.41 ' NE2' HG21 ' A' ' 68' ' ' ILE . 26.3 mt-30 -103.43 130.71 50.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.926 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.5 mp -111.39 100.75 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -102.29 136.34 12.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.664 ' CE1' HD22 ' A' ' 82' ' ' LEU . 4.0 p90 -152.85 145.56 24.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.576 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.51 158.51 37.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.06 145.9 34.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.11 31.38 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.5 147.89 91.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -4.3 15.2 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.448 1.762 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.14 40.71 0.93 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.82 149.55 25.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 0.744 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -144.36 63.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -138.03 96.61 0.23 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 64' ' ' GLY . 78.0 mt-30 -37.49 127.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.576 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 10.3 m-85 -38.96 115.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.9 m -62.15 109.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.968 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.41 HG21 ' NE2' ' A' ' 52' ' ' GLN . 32.1 mm -88.02 138.36 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -128.35 116.49 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 71' ' ' MET . 1.6 tt0 -80.94 138.67 36.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.244 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.421 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 1.5 ppp? -147.1 -178.2 6.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -115.19 156.92 24.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.78 113.62 25.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 38.8 p -85.88 1.94 47.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 159.3 -147.16 14.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.68 -38.37 29.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 83.5 p -104.69 123.72 48.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.582 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 2.2 mp0 -117.98 157.69 26.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 34' ' ' VAL . 7.2 p -150.76 147.17 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -144.65 124.88 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 m -86.21 95.88 9.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.926 HD11 ' CG2' ' A' ' 53' ' ' ILE . 16.2 mt -75.38 106.37 6.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.93 178.13 5.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.453 ' O ' HD23 ' A' ' 85' ' ' LEU . 7.8 m-20 70.48 60.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 84' ' ' ASN . 13.8 mt -123.43 175.01 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.25 177.32 6.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 88' ' ' PHE . 10.4 mtmt -99.67 137.78 37.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 87' ' ' LYS . 7.7 t80 35.78 57.59 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.52 148.56 50.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -74.95 128.51 35.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -133.74 123.24 24.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.36 129.87 10.05 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.585 HG22 ' CB ' ' A' ' 55' ' ' TYR . 47.5 t -125.31 142.37 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.7 m -128.5 126.04 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.808 HG11 ' CD2' ' A' ' 36' ' ' TRP . 19.1 t -106.41 143.35 17.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -151.21 145.23 25.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 1.088 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.72 137.05 32.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 1.7 p90 -134.78 130.65 36.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.484 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 21.9 p30 -124.3 178.25 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -61.83 -23.17 66.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.484 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . . . -73.91 -26.1 60.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 150.38 -162.43 29.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.1 m -115.72 149.54 38.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -99.92 -179.39 30.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 164.58 32.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.0 p -93.28 162.56 13.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.478 ' OG ' HG11 ' A' ' 22' ' ' VAL . 2.2 p -93.52 166.87 12.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.48 ' O ' HG23 ' A' ' 110' ' ' ILE . 0.7 OUTLIER -40.61 125.86 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.985 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.71 85.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.85 HD13 HG12 ' A' ' 22' ' ' VAL . 28.6 pt -70.03 168.3 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.465 ' C ' HD12 ' A' ' 24' ' ' LEU . 8.8 p30 -148.06 170.86 16.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -174.44 102.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 83.3 m -68.61 107.49 2.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.7 p -41.45 160.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 110.383 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.446 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER -51.3 176.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 116' ' ' GLU . 4.2 tp10 -92.43 -9.31 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.79 81.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -172.79 -176.6 41.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.22 42.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.1 t -157.55 160.59 38.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.02 129.43 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -162.55 157.57 22.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -174.0 141.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.99 -167.49 11.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t -135.44 145.64 47.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.995 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.38 164.34 20.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.8 175.53 0.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.2 mt -103.86 118.65 51.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.4 p -179.32 114.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.553 ' O ' HG22 ' A' ' 10' ' ' THR . 1.1 m -88.57 12.02 15.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -179.44 127.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -104.41 -176.03 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.527 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . . . -154.28 144.69 22.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.61 153.39 0.47 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.446 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.1 Cg_endo -75.06 150.95 38.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -120.27 59.43 0.9 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.52 141.97 3.3 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.14 29.85 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.471 1.774 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.56 22.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 45.7 mmm -107.03 176.61 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t70 50.22 26.49 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.36 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.27 107.12 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.476 ' HA ' HD12 ' A' ' 110' ' ' ILE . 14.0 t -152.74 164.88 36.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.018 ' CD2' HG22 ' A' ' 34' ' ' VAL . 48.1 mt -117.69 162.24 18.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.97 117.74 0.73 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 119.53 5.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.685 HG23 HG23 ' A' ' 28' ' ' THR . 1.8 m -102.21 -33.37 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.685 HG23 HG23 ' A' ' 27' ' ' VAL . 20.6 p -119.37 -150.99 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.29 -22.27 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -132.01 25.23 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -152.82 143.7 22.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.969 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.423 HD11 ' CG2' ' A' ' 114' ' ' THR . 83.3 mt -126.2 160.39 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -108.91 113.61 26.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.018 HG22 ' CD2' ' A' ' 24' ' ' LEU . 93.1 t -102.47 112.19 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.416 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.5 p -115.19 142.95 45.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.395 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.622 ' CD2' HG11 ' A' ' 95' ' ' VAL . 31.4 p90 -155.85 164.62 38.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -125.28 153.59 43.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.264 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.21 142.39 0.73 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 168.6 24.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.781 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.59 131.13 2.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -50.95 -47.37 61.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.35 -22.53 66.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.4 mt -106.72 52.59 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -121.71 -47.52 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 60.58 62.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.21 168.0 44.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 48' ' ' ILE . 84.2 t -52.29 164.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.628 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.2 mm -115.1 133.34 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -81.64 -30.25 32.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.417 ' C ' ' CD2' ' A' ' 98' ' ' PHE . . . 172.08 179.26 42.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.899 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.0 m-85 -132.13 137.94 47.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -85.0 144.2 28.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.839 ' CG2' HD11 ' A' ' 82' ' ' LEU . 5.4 mp -126.33 95.22 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 93' ' ' VAL . . . -92.89 122.66 7.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.599 ' CD1' HD22 ' A' ' 82' ' ' LEU . 22.4 p90 -131.56 142.23 49.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.567 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.51 146.88 21.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -48.17 130.23 15.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -92.43 44.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.6 p -85.15 155.95 60.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 99.4 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.09 44.7 2.75 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.69 143.84 26.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -133.49 71.07 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -142.57 98.51 0.22 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' GLY . 3.7 mp0 -37.73 128.56 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.567 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 12.7 m-85 -47.27 118.91 2.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.494 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 68.4 m -67.42 105.72 1.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.439 ' HA ' HD13 ' A' ' 68' ' ' ILE . 34.0 mm -83.94 142.43 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -135.2 115.12 17.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -80.35 139.59 36.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -146.27 179.93 7.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -115.72 152.65 32.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.39 121.15 26.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.2 p -97.94 15.13 24.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.48 -159.71 27.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.6 -30.42 68.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.742 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.4 p -109.99 138.01 46.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.598 ' OE2' ' CE1' ' A' ' 51' ' ' TYR . 2.3 mp0 -135.56 157.21 47.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 34' ' ' VAL . 10.3 p -150.23 152.71 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -145.11 122.89 11.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.2 m -87.57 93.59 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.839 HD11 ' CG2' ' A' ' 53' ' ' ILE . 31.2 mt -75.51 106.93 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -103.2 -170.62 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 62.19 53.01 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.8 mt -115.74 -169.62 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.51 172.21 7.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -102.59 122.62 44.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.2 t80 57.9 62.2 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.1 143.21 25.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -76.66 140.51 40.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -139.71 134.18 31.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -111.63 119.51 5.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.143 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.646 HG13 HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -123.6 156.8 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.8 m -127.69 152.9 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.622 HG11 ' CD2' ' A' ' 36' ' ' TRP . 5.6 t -128.39 144.61 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -153.41 154.55 34.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.899 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.08 120.08 31.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.645 ' CB ' HG23 ' A' ' 103' ' ' THR . 0.5 OUTLIER -116.55 130.72 56.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.62 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 22.5 p30 -124.47 178.31 5.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -63.54 -16.55 61.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.62 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . . . -82.21 -26.04 33.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 148.48 -167.06 29.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.645 HG23 ' CB ' ' A' ' 98' ' ' PHE . 2.3 m -114.34 145.31 41.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 110.398 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -91.22 -170.09 42.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.31 41.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 m -79.77 156.03 27.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.53 153.7 21.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.52 120.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.09 125.29 24.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -107.41 -163.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -150.64 154.46 37.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.06 93.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.9 m -63.28 116.52 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.423 ' CG2' HD11 ' A' ' 32' ' ' ILE . 11.3 p -53.46 145.1 15.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 24.7 mt -40.5 145.38 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.401 ' OE2' ' C ' ' A' ' 117' ' ' SER . 0.2 OUTLIER -74.89 -1.93 24.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.401 ' C ' ' OE2' ' A' ' 116' ' ' GLU . 12.5 t 63.96 119.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 177.79 177.55 46.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.12 40.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.473 1.775 . . . . 0.0 111.02 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.3 m -140.16 113.14 8.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.9 p 171.61 152.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.66 149.94 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.08 149.28 8.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.5 119.04 0.55 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.66 113.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.93 167.96 18.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.39 124.23 0.7 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.3 mt 42.5 76.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.26 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -170.74 97.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.955 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.1 t -178.79 146.33 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.443 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.3 OUTLIER 64.82 106.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -117.42 171.15 8.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 45' ' ' ASN . . . -133.73 146.27 50.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -62.8 157.63 58.14 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 150.61 38.59 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.33 29.38 7.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.99 147.69 11.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.29 14.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 168.52 24.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.442 1.759 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.6 mmm -109.75 175.35 5.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t0 51.15 30.02 5.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.655 HG11 ' OG ' ' A' ' 107' ' ' SER . 61.0 t -74.9 109.77 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -148.34 155.67 41.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.353 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.663 HD22 HG22 ' A' ' 34' ' ' VAL . 70.9 mt -111.29 161.39 16.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.478 ' C ' HG23 ' A' ' 32' ' ' ILE . 2.4 tt0 -165.9 117.61 0.84 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.766 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.65 HG23 HG23 ' A' ' 28' ' ' THR . 3.2 m -96.91 -34.22 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.65 HG23 HG23 ' A' ' 27' ' ' VAL . 31.0 p -125.88 -162.34 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.412 ' HB2' ' CA ' ' A' ' 118' ' ' GLY . 19.4 t -89.51 -35.75 15.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.42 ' C ' ' OG ' ' A' ' 31' ' ' SER . 79.0 mt-30 -124.37 54.37 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.554 ' HA ' HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -176.99 151.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.478 HG23 ' C ' ' A' ' 25' ' ' GLN . 85.9 mt -140.77 150.01 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -99.0 118.27 35.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.663 HG22 HD22 ' A' ' 24' ' ' LEU . 17.6 t -107.29 109.17 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.6 HG23 HG23 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -117.62 128.74 55.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 110.414 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.875 ' CD2' HG11 ' A' ' 95' ' ' VAL . 30.9 p90 -144.01 160.76 40.29 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -111.47 161.12 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.64 148.86 1.6 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.02 174.1 13.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -38.57 134.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -60.73 -53.72 53.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -58.93 -20.23 50.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.3 mt -110.89 49.36 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -106.29 -31.59 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.45 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . 81.0 m-20 41.3 59.99 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.5 155.12 19.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 48' ' ' ILE . 55.6 t -43.86 163.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.853 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.2 mm -105.13 125.53 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.082 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.475 ' CD ' ' HG3' ' A' ' 100' ' ' ARG . 0.7 OUTLIER -72.69 -46.66 52.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.63 ' HA2' ' HB2' ' A' ' 73' ' ' ALA . . . -171.58 174.92 45.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.885 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 8.2 m-85 -130.05 164.27 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.433 ' C ' HD12 ' A' ' 53' ' ' ILE . 21.6 mt-30 -119.3 137.86 53.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.842 ' CG2' HD11 ' A' ' 82' ' ' LEU . 3.9 mp -115.57 102.19 13.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 93' ' ' VAL . . . -96.35 125.99 8.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.687 ' CE1' HD22 ' A' ' 82' ' ' LEU . 17.9 p90 -145.16 147.39 32.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.54 158.46 37.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -61.49 148.94 40.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.264 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -93.25 23.96 4.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.402 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -49.83 155.19 1.56 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.013 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 93.64 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 111.043 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.05 41.02 12.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.44 148.17 45.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -121.05 72.16 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.48 94.32 0.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -40.59 124.54 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 110.319 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 7.8 m-85 -39.38 116.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.8 m -62.52 106.04 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.049 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.444 HD13 ' HA ' ' A' ' 68' ' ' ILE . 25.7 mm -85.28 137.97 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -140.3 113.02 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.601 ' CD ' ' CZ ' ' A' ' 98' ' ' PHE . 4.3 tt0 -87.95 139.61 30.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 1.7 ppp? -133.37 -177.37 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.419 ' O ' ' SD ' ' A' ' 71' ' ' MET . 2.8 mttm -88.4 147.33 24.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.63 ' HB2' ' HA2' ' A' ' 50' ' ' GLY . . . -104.41 118.1 35.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.638 HG23 ' OE1' ' A' ' 78' ' ' GLU . 17.1 p -66.17 -47.22 74.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 76' ' ' ASP . . . 112.24 59.42 0.44 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 2.7 m-20 155.91 -44.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.411 ' O ' ' CD ' ' A' ' 78' ' ' GLU . 52.9 p -145.39 152.81 40.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.045 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.638 ' OE1' HG23 ' A' ' 74' ' ' THR . 21.3 mm-40 -144.44 151.78 39.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.6 HG23 HG23 ' A' ' 35' ' ' THR . 10.9 p -154.16 146.48 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -147.01 123.17 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 m -89.23 96.79 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.386 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.842 HD11 ' CG2' ' A' ' 53' ' ' ILE . 32.4 mt -74.88 123.28 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 5.7 p30 -122.54 167.69 13.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 5.7 m120 84.57 44.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.762 HD12 ' N ' ' A' ' 85' ' ' LEU . 0.6 OUTLIER -99.63 -163.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.19 -175.03 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -108.98 112.58 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.562 ' CE1' ' HG2' ' A' ' 116' ' ' GLU . 7.7 t80 57.19 63.07 1.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.2 155.65 43.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -75.53 140.86 43.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 2.9 m-85 -139.03 134.58 33.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.71 123.08 4.77 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.628 HG22 HD21 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -120.41 164.21 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.4 m -140.34 120.94 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.875 HG11 ' CD2' ' A' ' 36' ' ' TRP . 15.1 t -96.37 147.43 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -151.94 144.17 23.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.246 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.885 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.5 135.53 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.601 ' CZ ' ' CD ' ' A' ' 70' ' ' GLU . 1.0 OUTLIER -133.04 138.24 46.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.958 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 99' ' ' ASN . 0.5 OUTLIER -124.39 178.02 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.475 ' HG3' ' CD ' ' A' ' 49' ' ' ARG . 1.9 mtt-85 -59.35 -22.7 61.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.417 ' HB3' ' N ' ' A' ' 14' ' ' ALA . . . -74.92 -26.01 59.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.98 -153.03 25.03 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.4 m -121.5 156.88 31.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 110.368 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.63 -168.06 19.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 161.43 38.76 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.69 164.94 12.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.655 ' OG ' HG11 ' A' ' 22' ' ' VAL . 57.5 p -83.99 159.19 21.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.18 121.59 5.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -55.79 125.85 23.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.619 HG22 ' H ' ' A' ' 111' ' ' ASN . 0.8 OUTLIER -105.12 -162.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.338 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.619 ' H ' HG22 ' A' ' 110' ' ' ILE . 12.1 p-10 -150.85 153.72 35.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.35 90.08 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 83.6 m -65.51 108.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 54.6 p -45.87 149.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 68.7 mt -46.87 160.3 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.562 ' HG2' ' CE1' ' A' ' 88' ' ' PHE . 8.1 mt-10 -79.98 2.22 24.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 51.6 p -178.07 162.41 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 29' ' ' SER . . . -86.81 140.44 17.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -61.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.1 m 59.74 89.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 61.3 p -116.62 169.75 9.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.942 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.85 157.5 4.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m 60.95 157.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.76 112.14 0.4 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -73.41 153.17 40.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.2 p -94.54 149.97 20.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.35 102.48 1.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.1 mt -63.24 104.79 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.2 p -171.91 84.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.555 ' O ' HG22 ' A' ' 10' ' ' THR . 21.4 m -89.83 16.54 7.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -126.62 95.89 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.64 170.29 10.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.578 ' C ' ' HB1' ' A' ' 101' ' ' ALA . . . -137.68 147.45 44.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.9 159.81 0.21 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 153.4 41.75 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -124.76 60.56 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 170.77 128.03 0.99 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.07 17.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.07 23.43 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.498 1.788 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.71 177.86 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 t0 47.57 34.14 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.538 HG12 HD11 ' A' ' 110' ' ' ILE . 38.8 t -78.24 106.41 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -147.39 160.5 42.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.975 ' CD2' HG22 ' A' ' 34' ' ' VAL . 52.5 mt -110.33 163.46 13.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -164.83 118.29 0.97 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.591 HG23 HG23 ' A' ' 28' ' ' THR . 2.8 m -101.14 -38.13 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.591 HG23 HG23 ' A' ' 27' ' ' VAL . 44.2 p -120.12 -148.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -109.16 -24.37 11.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -128.6 44.34 2.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 9.3 t -168.87 165.24 11.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.401 HD11 HG23 ' A' ' 114' ' ' THR . 44.9 mt -151.62 146.76 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -99.01 117.89 34.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.975 HG22 ' CD2' ' A' ' 24' ' ' LEU . 44.8 t -106.36 108.5 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.472 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.1 p -110.27 137.47 47.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.453 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.889 ' CD2' HG11 ' A' ' 95' ' ' VAL . 28.0 p90 -148.31 163.64 36.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt -119.45 170.59 9.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -47.76 144.03 5.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 173.26 14.81 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.44 ' CB ' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -41.02 137.38 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -69.11 -46.84 66.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -73.16 -2.71 22.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.44 ' HB2' ' CB ' ' A' ' 40' ' ' LYS . 40.7 mt -113.61 42.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -122.78 95.99 4.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -84.09 51.0 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.76 153.56 11.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 p -41.73 160.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 0.766 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.491 HG21 ' CZ ' ' A' ' 51' ' ' TYR . 2.8 mm -104.08 150.78 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.67 -25.16 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.442 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 173.07 178.02 42.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 1.028 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.5 m-85 -135.18 132.66 38.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.636 ' C ' HD12 ' A' ' 53' ' ' ILE . 12.2 mm-40 -80.26 157.12 26.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.636 HD12 ' C ' ' A' ' 52' ' ' GLN . 4.3 mp -134.31 105.16 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.434 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -103.73 134.51 11.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.502 ' HB2' HG22 ' A' ' 93' ' ' VAL . 19.1 p90 -153.15 145.19 23.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.632 ' CD ' ' CE1' ' A' ' 66' ' ' TYR . 0.5 OUTLIER -156.4 151.07 25.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 5.1 tt0 -55.78 118.24 4.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -89.12 44.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.9 m -118.87 154.78 53.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 59.61 5.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.459 1.768 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.84 45.52 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t -110.09 -167.79 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 0.795 . . . . 0.0 110.032 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -88.66 -46.28 9.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.29 -81.6 0.34 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -38.6 132.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 0.797 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.632 ' CE1' ' CD ' ' A' ' 56' ' ' ARG . 8.9 m-85 -82.14 131.06 35.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.1 m -71.99 108.15 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.54 ' CG2' ' CD ' ' A' ' 52' ' ' GLN . 28.0 mm -91.83 139.13 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.573 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -135.36 114.03 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 71' ' ' MET . 2.2 tm-20 -79.92 146.32 32.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 2.8 ppp? -150.36 -176.57 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.538 ' HD2' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -114.52 154.98 27.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.05 105.86 17.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.538 HG22 ' HD2' ' A' ' 72' ' ' LYS . 9.6 p -80.95 2.25 27.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.38 -166.13 36.39 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -44.96 92.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.0 p -94.18 134.73 36.33 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.421 ' HB2' ' NE1' ' A' ' 36' ' ' TRP . 71.7 mm-40 -132.08 153.57 50.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.472 HG23 ' CG2' ' A' ' 35' ' ' THR . 14.5 p -146.67 148.63 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -145.98 122.69 11.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 m -88.95 98.44 11.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.419 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.552 HD21 ' CG2' ' A' ' 53' ' ' ILE . 18.6 mt -74.22 106.63 5.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -99.08 171.09 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.443 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.8 OUTLIER 75.86 59.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 84' ' ' ASN . 12.0 mt -122.95 -179.37 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.88 167.75 11.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 88' ' ' PHE . 4.3 mttp -82.64 134.73 35.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.651 ' CD1' HG22 ' A' ' 113' ' ' THR . 7.1 t80 32.75 65.82 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.44 143.52 48.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -73.92 113.16 10.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 9.6 m-85 -120.43 123.94 44.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.58 131.19 10.61 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.948 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.556 ' HB ' HD21 ' A' ' 24' ' ' LEU . 42.3 t -122.81 154.04 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.1 m -143.74 118.76 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.889 HG11 ' CD2' ' A' ' 36' ' ' TRP . 7.5 t -99.87 148.03 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' GLN . 1.6 pt20 -153.58 143.56 22.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 1.028 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.09 128.99 37.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.813 ' HB3' HG23 ' A' ' 103' ' ' THR . 7.3 p90 -125.32 136.37 53.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.458 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 16.6 p30 -124.31 177.44 5.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -57.9 -23.38 52.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.578 ' HB1' ' C ' ' A' ' 13' ' ' ALA . . . -73.73 -22.45 59.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.09 -157.61 27.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.155 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.813 HG23 ' HB3' ' A' ' 98' ' ' PHE . 9.8 m -114.37 144.22 43.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 110.417 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.88 177.53 49.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 155.93 42.7 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 p -73.31 153.32 40.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 p -82.93 173.91 11.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.25 114.52 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -48.89 133.57 17.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.238 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.538 HD11 HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -126.07 -174.41 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -152.36 161.53 42.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.462 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -171.54 97.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.651 HG22 ' CD1' ' A' ' 88' ' ' PHE . 31.9 m -65.1 114.48 4.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.401 HG23 HD11 ' A' ' 32' ' ' ILE . 7.3 p -48.68 177.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 43.8 mt -76.58 143.13 40.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 117' ' ' SER . 0.2 OUTLIER -94.23 -3.58 50.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.457 ' N ' ' OE1' ' A' ' 116' ' ' GLU . 33.2 t -179.83 133.2 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.979 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 64.71 154.35 0.13 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -168.72 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.793 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.35 108.17 19.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.21 103.31 12.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.036 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.51 -54.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 110.028 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m 60.81 117.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.03 -152.64 29.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -127.34 159.6 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 0.724 . . . . 0.0 110.043 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.31 -59.43 1.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.22 121.98 2.94 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 67.5 mt 58.15 107.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 109.361 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -163.29 86.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.986 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 11' ' ' GLU . 6.2 t -176.25 151.02 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 10' ' ' THR . 4.0 pt-20 33.71 67.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -92.95 153.67 18.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.17 142.52 50.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.44 152.94 2.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 138.01 22.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -109.68 49.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' A' ' 18' ' ' PRO . . . 171.41 143.39 4.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 111.047 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -74.97 174.19 13.2 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.75 21.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -110.34 162.78 14.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 59.5 46.31 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.66 HG11 ' OG ' ' A' ' 107' ' ' SER . 9.8 t -86.18 105.7 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.412 ' C ' HD13 ' A' ' 24' ' ' LEU . 4.7 t -149.9 152.03 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.979 HD12 HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -107.62 154.49 21.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.28 115.46 3.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 110.94 3.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.644 HG23 HG23 ' A' ' 28' ' ' THR . 2.8 m -95.48 -33.39 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.644 HG23 HG23 ' A' ' 27' ' ' VAL . 44.0 p -120.69 -150.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.435 ' CB ' ' HD3' ' A' ' 87' ' ' LYS . 1.7 m -114.08 -13.94 12.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.038 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -135.66 35.2 2.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -162.25 163.87 27.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.955 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.436 HG21 ' HB3' ' A' ' 24' ' ' LEU . 50.2 mt -148.85 139.71 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -92.8 113.04 25.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.979 HG22 HD12 ' A' ' 24' ' ' LEU . 92.1 t -102.39 109.93 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.551 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.4 p -112.33 141.31 46.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.524 ' CD2' HG11 ' A' ' 95' ' ' VAL . 29.8 p90 -155.61 164.64 38.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 107.987 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -122.42 167.3 13.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.17 145.48 2.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -74.99 -175.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.779 ' HB2' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -39.26 139.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.4 ' HA ' ' NE2' ' A' ' 44' ' ' GLN . 7.3 tptt -65.83 -51.92 54.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -88.46 46.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 40' ' ' LYS . 15.9 mt -147.05 -44.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 43' ' ' LEU . 4.1 mt-30 -33.06 -45.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 60.14 56.75 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.49 -177.09 23.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.516 HG22 ' H ' ' A' ' 48' ' ' ILE . 9.1 p -67.76 171.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.902 HG21 ' CE1' ' A' ' 51' ' ' TYR . 6.7 mm -121.33 130.26 74.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -36.12 33.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.436 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 176.7 174.31 43.05 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.965 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 6.0 m-85 -128.64 145.14 51.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -95.07 132.89 39.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.856 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.0 mp -112.89 96.36 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.487 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -90.5 127.88 9.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.641 ' HB2' HG12 ' A' ' 93' ' ' VAL . 41.0 p90 -144.63 145.89 32.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -156.07 152.8 28.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -71.62 148.24 46.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -99.71 34.21 2.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.8 p -114.05 156.25 44.31 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 82.25 2.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.69 44.71 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 t -88.4 175.36 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -41.33 -50.16 3.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.59 -80.34 0.23 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.27 144.69 31.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 0.746 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 12.8 m-85 -39.24 115.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.9 m -63.84 107.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.487 HD13 ' CA ' ' A' ' 54' ' ' GLY . 31.2 mm -85.66 151.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.675 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -143.19 116.86 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 71' ' ' MET . 4.4 tt0 -80.71 139.78 35.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.425 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -147.19 178.81 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.667 ' NZ ' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -121.07 147.53 45.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.02 118.51 20.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.667 HG22 ' NZ ' ' A' ' 72' ' ' LYS . 6.5 p -99.04 24.57 7.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.401 ' O ' ' OE2' ' A' ' 78' ' ' GLU . . . 141.22 -150.54 21.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.76 -45.96 23.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.6 p -97.6 144.03 27.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 75' ' ' GLY . 23.7 mm-40 -136.06 158.86 43.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.551 HG23 ' CG2' ' A' ' 35' ' ' THR . 12.3 p -150.49 149.02 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.15 120.19 9.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.5 m -88.29 94.36 9.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.856 HD11 ' CG2' ' A' ' 53' ' ' ILE . 32.8 mt -70.34 106.96 3.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.6 -175.46 3.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.476 ' O ' HD23 ' A' ' 85' ' ' LEU . 44.8 m-20 61.35 61.5 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 84' ' ' ASN . 17.7 mt -122.23 -177.68 3.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.54 162.44 13.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.435 ' HD3' ' CB ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -83.29 130.61 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.1 t80 38.05 72.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.41 144.4 29.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -74.84 128.48 35.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 57' ' ' GLU . 5.7 m-85 -128.75 135.55 49.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.11 113.14 2.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.641 HG12 ' HB2' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -115.96 159.99 15.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.409 ' CG1' ' HB2' ' A' ' 109' ' ' GLU . 1.4 m -135.47 129.15 49.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.524 HG11 ' CD2' ' A' ' 36' ' ' TRP . 6.9 t -101.74 148.05 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -153.11 145.86 24.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.965 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.65 121.36 33.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.603 ' C ' ' CD1' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -117.48 134.28 55.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.56 178.38 5.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -67.69 -24.24 65.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.91 -25.79 59.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.87 -174.13 30.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.427 HG23 ' CB ' ' A' ' 98' ' ' PHE . 7.2 m -108.05 147.86 30.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 110.373 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -98.5 -169.84 31.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.514 1.133 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.21 29.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.3 p -96.62 168.51 10.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.66 ' OG ' HG11 ' A' ' 22' ' ' VAL . 51.9 p -97.7 162.98 13.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.931 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.89 119.23 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.409 ' HB2' ' CG1' ' A' ' 94' ' ' VAL . 4.6 tt0 -65.97 112.68 3.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.718 HD13 HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -89.94 -163.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.445 ' H ' HG22 ' A' ' 110' ' ' ILE . 11.4 p-10 -152.71 136.83 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.518 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -146.38 100.94 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.7 m -69.77 121.66 17.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 18.4 p -52.59 -174.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.9 mt -95.21 159.51 14.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.35 -3.04 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.7 t -163.49 133.94 4.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.61 142.83 6.68 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -51.87 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.042 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.0 m -46.05 142.27 2.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.1 t -168.1 124.37 1.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.0 135.72 2.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 0.738 . . . . 0.0 109.989 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.75 168.64 17.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.76 147.14 18.14 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -153.21 136.41 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.73 125.04 49.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.44 112.02 3.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.525 ' H ' HD12 ' A' ' 8' ' ' ILE . 4.7 mp -86.99 133.99 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.77 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.539 ' C ' HG22 ' A' ' 10' ' ' THR . 38.3 t -128.51 -135.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.968 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.539 HG22 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER 170.18 137.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 60.84 104.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -95.2 -176.89 3.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.138 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.98 152.2 49.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -59.17 161.27 9.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.0 135.73 19.45 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -108.88 60.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.59 142.17 3.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 172.96 15.33 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.486 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 18.4 Cg_endo -75.03 158.12 42.27 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 43.9 mtp -98.97 178.4 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t70 50.65 28.24 3.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.851 HG11 ' OG ' ' A' ' 107' ' ' SER . 41.4 t -72.13 111.15 5.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -153.83 151.97 30.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.009 ' CD2' HG22 ' A' ' 34' ' ' VAL . 50.1 mt -106.6 163.98 12.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -166.64 118.11 0.77 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.23 2.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -91.52 -33.75 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.431 ' OG1' ' CB ' ' A' ' 31' ' ' SER . 1.2 p -124.52 -168.32 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.9 p -100.16 1.81 42.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -147.07 26.31 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.0 OUTLIER -154.26 168.94 24.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.96 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 81' ' ' THR . 55.8 mt -152.39 136.82 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.406 ' NE2' ' OG1' ' A' ' 81' ' ' THR . 0.0 OUTLIER -89.71 132.56 35.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.148 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.009 HG22 ' CD2' ' A' ' 24' ' ' LEU . 95.5 t -124.16 104.69 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.537 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.2 p -109.98 140.51 43.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.75 ' CD2' HG11 ' A' ' 95' ' ' VAL . 33.5 p90 -150.89 164.93 35.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 107.995 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -117.17 162.77 17.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.14 136.3 8.63 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 98.39 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.528 ' HB2' HD12 ' A' ' 43' ' ' LEU . 6.0 mptp? 48.54 -169.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -117.01 -47.18 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -85.05 10.83 10.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.528 HD12 ' HB2' ' A' ' 40' ' ' LYS . 20.0 mt -104.2 -36.0 7.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -38.3 -35.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 1.1 m-20 64.02 22.21 12.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.565 ' O ' ' CG1' ' A' ' 47' ' ' VAL . . . 112.98 68.02 0.51 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.554 1.158 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.59 HG22 ' N ' ' A' ' 48' ' ' ILE . 8.5 p 48.43 172.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.59 ' N ' HG22 ' A' ' 47' ' ' VAL . 4.8 mm -123.03 140.36 46.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.8 -37.65 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.444 ' HA3' ' CZ ' ' A' ' 98' ' ' PHE . . . -172.59 174.56 45.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE1' ' OE2' ' A' ' 78' ' ' GLU . 6.7 m-85 -126.19 173.15 9.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.508 ' C ' HD12 ' A' ' 53' ' ' ILE . 13.5 mt-30 -134.13 132.33 39.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.839 HG21 HD21 ' A' ' 82' ' ' LEU . 3.5 mp -114.72 109.82 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.423 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -105.31 116.04 5.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.769 ' CB ' HG22 ' A' ' 93' ' ' VAL . 21.7 p90 -135.73 146.99 48.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.6 143.68 18.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 1.1 tt0 -50.46 122.97 7.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 1.2 t-20 -88.83 44.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.75 159.33 46.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 78.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 136.23 50.46 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.2 t -93.51 -173.29 3.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.019 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.59 -60.81 2.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 157.25 -76.02 0.21 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -96.77 173.4 7.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 13.6 m-85 -80.46 122.31 26.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 m -69.47 111.32 5.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.973 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.423 HD13 ' CA ' ' A' ' 54' ' ' GLY . 36.9 mm -90.13 139.77 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -127.77 119.56 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.53 135.39 36.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.409 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 1.7 ppp? -144.37 -179.26 6.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -118.94 149.27 41.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.46 105.92 6.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.8 p -60.54 -38.02 83.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.05 -130.47 1.54 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.51 -28.28 56.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.7 p -125.29 145.91 49.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.585 ' OE2' ' CE1' ' A' ' 51' ' ' TYR . 8.4 mp0 -135.69 158.31 44.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.537 HG23 ' CG2' ' A' ' 35' ' ' THR . 14.9 p -150.08 147.79 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.557 ' CE1' HD13 ' A' ' 82' ' ' LEU . 3.0 t80 -145.41 127.51 15.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.406 ' OG1' ' NE2' ' A' ' 33' ' ' GLN . 15.9 m -103.22 102.91 12.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.839 HD21 HG21 ' A' ' 53' ' ' ILE . 2.6 mm? -73.31 107.17 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -89.86 179.12 6.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.422 ' O ' HD23 ' A' ' 85' ' ' LEU . 82.8 m-20 60.81 61.39 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 84' ' ' ASN . 56.6 mt -122.79 174.14 7.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.19 -175.95 6.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -114.22 130.75 56.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.6 t80 48.05 55.53 8.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.51 145.28 50.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 5.9 tt0 -74.28 118.38 17.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.515 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 1.5 m-85 -125.55 129.52 49.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.47 135.65 12.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.769 HG22 ' CB ' ' A' ' 55' ' ' TYR . 21.6 t -133.07 152.78 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 0.791 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.1 m -137.73 119.8 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.75 HG11 ' CD2' ' A' ' 36' ' ' TRP . 17.4 t -92.56 145.68 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -152.95 140.64 19.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 48' ' ' ILE . . . -91.39 132.18 36.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.595 ' C ' ' CD1' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -124.62 137.82 54.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -123.42 178.33 5.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -64.02 -26.69 68.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.72 -25.94 61.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.9 -171.57 29.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 34.6 m -105.06 148.09 27.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -101.23 -171.71 28.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 157.76 42.7 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 m -99.22 165.81 11.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.851 ' OG ' HG11 ' A' ' 22' ' ' VAL . 80.0 p -80.29 166.82 20.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.8 p -50.58 155.88 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -79.68 117.69 20.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.655 HD11 HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -109.38 -172.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 91' ' ' TYR . 18.4 m-80 -152.62 165.21 35.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.613 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -164.38 69.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.0 m -39.31 113.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.8 p -48.26 176.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 33.3 mt -83.65 149.85 26.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 116' ' ' GLU . 15.4 tt0 -96.51 -0.95 48.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.1 m 61.35 120.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -155.21 -168.2 18.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.38 5.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.82 170.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.08 -58.0 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.85 157.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -174.7 166.94 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.96 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.14 133.76 6.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.91 83.07 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.2 163.72 17.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.47 163.99 26.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.137 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.8 pt -94.09 37.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.337 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 65.11 32.76 10.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.721 HG23 ' N ' ' A' ' 11' ' ' GLU . 9.5 t -119.9 -146.29 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.721 ' N ' HG23 ' A' ' 10' ' ' THR . 8.2 mt-10 44.61 88.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -97.03 178.42 5.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.436 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . . . -126.62 150.88 48.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -53.65 160.39 2.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 150.97 38.68 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -122.52 42.5 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.62 135.72 2.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.28 18.63 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 164.11 33.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.4 mmm -107.28 172.31 6.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t70 54.78 36.24 25.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.719 HG12 HD11 ' A' ' 110' ' ' ILE . 48.9 t -80.58 111.88 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 t -151.98 158.51 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.96 ' CD2' HG22 ' A' ' 34' ' ' VAL . 48.0 mt -108.59 165.47 11.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.18 118.29 0.73 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.276 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HB2' ' CD2' ' A' ' 115' ' ' LEU . 18.2 Cg_endo -75.0 115.63 4.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 m -100.77 -31.5 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.526 ' HG1' ' CB ' ' A' ' 31' ' ' SER . 74.7 p -125.93 -163.79 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 m -95.49 -23.0 17.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -133.87 39.89 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.526 ' CB ' ' HG1' ' A' ' 28' ' ' THR . 0.5 OUTLIER -164.65 137.79 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.589 HD11 HG22 ' A' ' 114' ' ' THR . 87.8 mt -124.68 146.55 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -98.77 134.61 41.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.96 HG22 ' CD2' ' A' ' 24' ' ' LEU . 72.3 t -124.18 113.52 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.547 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.1 p -114.96 141.36 48.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.808 ' CD2' HG11 ' A' ' 95' ' ' VAL . 17.7 p90 -152.14 158.73 43.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 107.993 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . 19.7 mtpt -114.32 158.65 21.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 76' ' ' ASP . . . -39.91 141.62 0.76 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 171.71 17.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -38.0 132.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -60.68 -54.34 46.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -62.13 -21.11 64.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -110.67 51.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -106.34 -53.08 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 2.1 m120 70.41 59.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.591 1.182 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.47 161.49 9.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 48' ' ' ILE . 53.6 t -42.96 161.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.777 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.4 mm -106.44 132.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -82.74 -27.9 30.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.433 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 173.63 -173.58 45.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.903 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 28.6 m-85 -141.69 162.29 35.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.562 ' C ' HD12 ' A' ' 53' ' ' ILE . 45.6 mt-30 -112.34 149.96 31.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.887 HG21 HD21 ' A' ' 82' ' ' LEU . 4.6 mp -130.82 95.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.46 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -89.41 115.0 4.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.493 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 24.0 p90 -129.92 142.51 50.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.645 ' NE ' ' CE1' ' A' ' 66' ' ' TYR . 8.1 ptt180 -157.01 148.78 22.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.492 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 7.2 tt0 -56.27 118.19 4.5 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -94.54 44.59 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.03 167.0 35.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.003 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 88.03 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.12 40.99 0.72 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.98 163.17 14.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -178.67 37.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 65' ' ' GLN . . . -99.92 22.59 39.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 64' ' ' GLY . 0.0 OUTLIER 52.33 171.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.645 ' CE1' ' NE ' ' A' ' 56' ' ' ARG . 24.7 m-85 -90.28 117.96 29.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.5 m -71.43 106.38 3.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.978 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.46 HD13 ' CA ' ' A' ' 54' ' ' GLY . 20.4 mm -82.99 144.63 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -143.56 112.59 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -84.19 138.38 33.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -141.74 -177.82 5.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' O ' ' SD ' ' A' ' 71' ' ' MET . 4.4 mttm -95.87 154.78 17.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.078 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.25 97.27 11.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 74.2 p -47.93 -37.61 14.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.38 -132.99 2.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.9 m-20 -66.08 -37.54 86.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.5 p -120.22 145.16 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.598 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 1.3 mp0 -131.79 156.56 45.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.547 HG23 ' CG2' ' A' ' 35' ' ' THR . 12.8 p -146.0 146.35 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.522 ' CE1' HD13 ' A' ' 82' ' ' LEU . 6.3 t80 -146.53 138.15 24.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 15.5 m -108.0 106.44 16.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.887 HD21 HG21 ' A' ' 53' ' ' ILE . 2.9 mm? -78.74 106.17 10.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.04 -176.22 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.088 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 61.58 46.28 7.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.513 HD11 ' O ' ' A' ' 82' ' ' LEU . 38.6 mt -108.14 166.98 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 1.8 tttt -77.96 -170.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -121.22 138.13 54.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.5 t80 45.61 36.6 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . . . -122.17 143.91 49.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.45 ' NE2' ' OD1' ' A' ' 111' ' ' ASN . 43.8 tt0 -74.62 133.43 42.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.492 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 5.8 m-85 -133.08 128.37 36.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.81 124.55 7.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.493 ' HB ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -132.68 161.2 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 21.8 m -131.23 173.33 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.808 HG11 ' CD2' ' A' ' 36' ' ' TRP . 19.3 t -144.25 140.39 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -146.81 149.66 33.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.903 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.0 129.66 36.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -125.25 132.23 52.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -124.41 177.01 6.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -23.14 56.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.436 ' HB1' ' HA ' ' A' ' 13' ' ' ALA . . . -74.0 -24.37 59.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.78 -155.21 26.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.451 HG23 ' CB ' ' A' ' 98' ' ' PHE . 6.6 m -119.74 152.76 36.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -100.35 -172.55 29.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 160.01 40.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.4 p -76.02 169.5 18.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.57 ' OG ' HG11 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -102.37 159.66 15.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.86 117.58 1.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.67 145.19 40.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.719 HD11 HG12 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -134.78 -174.0 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.45 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 23.9 m-80 -153.33 146.9 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.612 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -151.77 87.65 1.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.7 m -58.94 105.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.589 HG22 HD11 ' A' ' 32' ' ' ILE . 80.9 p -41.18 155.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.491 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -48.09 174.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.259 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 116' ' ' GLU . 16.1 tt0 -94.55 -2.51 51.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.2 m 52.56 96.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -129.82 -163.62 11.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 63.58 6.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t 39.44 90.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.9 m -93.33 115.76 28.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.01 163.33 40.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 0.735 . . . . 0.0 109.999 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.0 151.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.05 -166.53 29.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -160.32 -58.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 0.739 . . . . 0.0 110.039 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 p -135.96 165.15 26.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.24 103.52 0.45 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.125 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.471 ' N ' HD12 ' A' ' 8' ' ' ILE . 4.9 mp -98.5 136.92 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 m 63.19 85.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.582 ' O ' HG22 ' A' ' 10' ' ' THR . 16.6 m -93.81 16.23 14.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -121.89 93.16 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -97.89 -178.24 4.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.62 144.86 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.47 155.83 0.7 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 131.7 14.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -103.5 56.25 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.39 138.28 2.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.85 15.54 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HG3' HG12 ' A' ' 95' ' ' VAL . 18.3 Cg_endo -74.93 160.26 40.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.4 mtp -106.26 178.67 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 t0 51.84 31.19 7.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.504 HG12 HD11 ' A' ' 110' ' ' ILE . 44.1 t -75.08 107.0 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 t -139.8 154.79 47.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 HG22 ' A' ' 34' ' ' VAL . 7.6 mt -117.16 158.92 23.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -164.4 121.92 1.16 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 118.94 5.44 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.626 HG23 HG23 ' A' ' 28' ' ' THR . 5.0 m -105.61 -40.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.626 HG23 HG23 ' A' ' 27' ' ' VAL . 54.0 p -119.55 178.9 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.375 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -82.2 -22.63 35.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -129.29 48.6 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.501 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.2 OUTLIER -177.51 170.01 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' THR . 50.5 mt -152.39 159.75 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -104.3 124.96 50.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.811 ' O ' HG23 ' A' ' 79' ' ' VAL . 41.8 t -117.56 118.71 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.73 140.36 52.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.533 ' CH2' HD11 ' A' ' 53' ' ' ILE . 30.8 p90 -154.23 161.98 41.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.019 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -116.93 172.88 6.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -52.58 137.2 42.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.01 98.79 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.4 -168.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -118.99 -47.55 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -76.17 -12.1 60.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.14 -20.52 18.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -51.3 -26.97 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 41.37 42.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.95 174.52 24.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.9 m -54.71 176.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.732 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.554 HG21 ' CE1' ' A' ' 51' ' ' TYR . 6.4 mm -125.6 145.46 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.29 -25.76 14.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.442 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 168.07 -178.12 41.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 1.056 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 10.3 m-85 -136.21 153.57 51.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.425 ' C ' HD12 ' A' ' 53' ' ' ILE . 45.8 mt-30 -105.09 135.48 46.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.906 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.3 mp -119.31 111.47 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.419 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -104.79 127.96 9.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 39.1 p90 -135.81 139.06 43.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 0.771 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -154.49 138.77 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -43.4 131.07 4.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.264 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -94.83 39.83 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.83 151.4 43.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 88.41 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.544 1.813 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.44 35.31 1.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.4 t -82.32 176.6 9.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.738 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.35 -59.65 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.54 -58.55 0.58 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -45.25 130.06 8.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 19.6 m-85 -90.84 128.66 36.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.574 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 75.4 m -76.21 105.62 7.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 68' ' ' ILE . 32.0 mm -85.48 147.68 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -137.61 117.65 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -79.94 137.72 36.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 3.5 ppp? -139.33 177.83 7.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.45 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -121.8 147.25 46.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.27 142.49 31.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 p -129.29 12.5 6.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 110.349 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.81 -139.95 6.13 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -97.22 -38.28 9.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.268 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.404 ' O ' ' OE2' ' A' ' 78' ' ' GLU . 22.4 p -106.04 130.6 53.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.41 ' HB3' ' CE ' ' A' ' 71' ' ' MET . 32.3 mm-40 -126.37 160.89 29.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 34' ' ' VAL . 8.2 p -147.52 147.73 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.55 ' CD1' HD12 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -142.04 123.86 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 4.0 m -90.11 96.29 10.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.906 HD21 ' CG2' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -69.91 106.16 3.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.63 -179.37 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.655 ' O ' HD23 ' A' ' 85' ' ' LEU . 9.0 m-20 63.85 67.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 84' ' ' ASN . 19.6 mt -128.2 -171.17 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.88 161.99 14.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' PHE . 7.4 mttt -79.06 135.0 36.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 115' ' ' LEU . 15.1 t80 36.71 63.35 0.67 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.4 ' N ' ' OG1' ' A' ' 114' ' ' THR . . . -136.62 135.21 38.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.478 ' CG ' ' HB3' ' A' ' 111' ' ' ASN . 4.3 tt0 -74.19 130.27 39.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 5.1 m-85 -131.6 123.11 27.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.03 104.54 3.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 54' ' ' GLY . 0.2 OUTLIER -111.5 157.11 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.729 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.4 m -122.01 178.91 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.548 HG12 ' HG3' ' A' ' 19' ' ' PRO . 21.4 t -147.1 135.57 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -148.18 140.85 24.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 1.056 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.19 118.86 30.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 5.5 p90 -107.23 129.87 54.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 99' ' ' ASN . 0.5 OUTLIER -124.47 164.22 20.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -24.95 38.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.37 -19.81 60.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.26 -166.87 29.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.401 HG23 ' CB ' ' A' ' 98' ' ' PHE . 4.8 m -114.46 142.69 46.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 0.796 . . . . 0.0 110.399 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -94.36 175.56 34.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.77 42.26 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.67 167.97 15.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.1 170.66 9.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.29 115.13 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.9 129.91 44.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.704 HG22 ' H ' ' A' ' 111' ' ' ASN . 0.3 OUTLIER -104.41 -162.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.704 ' H ' HG22 ' A' ' 110' ' ' ILE . 84.3 m-20 -152.74 139.77 19.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -156.11 97.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 114' ' ' THR . 23.9 m -67.57 123.35 20.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.435 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 113' ' ' THR . 4.7 p -49.99 -177.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 88' ' ' PHE . 0.4 OUTLIER -83.26 174.56 10.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.94 -1.0 26.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.7 t 168.26 126.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 60.2 -172.97 5.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -164.29 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.4 t -95.05 -56.99 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.23 116.75 33.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.21 87.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 110.0 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -148.88 123.49 9.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.56 154.1 45.91 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 p -157.17 149.59 23.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.75 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 p -108.08 100.58 9.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.32 133.58 2.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.8 mt -103.68 71.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.5 m -150.93 88.75 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.963 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.542 ' O ' HG22 ' A' ' 10' ' ' THR . 22.6 m -93.54 16.21 14.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -125.87 95.5 4.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -96.0 175.43 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.34 147.17 49.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.84 157.61 0.32 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 149.54 36.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.685 ' O ' HD22 ' A' ' 43' ' ' LEU . 8.7 m-20 -123.07 57.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.479 ' HA3' HD13 ' A' ' 43' ' ' LEU . . . 163.22 135.93 1.9 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 174.39 12.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.58 24.51 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -108.53 159.56 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.9 t0 61.0 47.73 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.487 HG12 HD11 ' A' ' 110' ' ' ILE . 6.2 t -86.16 105.82 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -149.36 153.06 36.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.87 HD12 HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.4 158.97 16.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.83 115.69 3.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.447 ' HB2' ' CD1' ' A' ' 115' ' ' LEU . 18.2 Cg_endo -75.01 109.67 2.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.802 HG23 HG23 ' A' ' 28' ' ' THR . 2.9 m -102.79 -38.31 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.802 HG23 HG23 ' A' ' 27' ' ' VAL . 13.3 p -111.29 -170.93 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -89.01 -36.67 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -123.37 45.41 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.497 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.7 OUTLIER -167.44 151.56 6.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.406 HG21 ' HB3' ' A' ' 24' ' ' LEU . 79.3 mt -135.64 145.08 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -96.96 122.56 40.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.87 HG22 HD12 ' A' ' 24' ' ' LEU . 42.5 t -108.76 122.88 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.09 135.48 51.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.388 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.533 ' CE3' HG11 ' A' ' 95' ' ' VAL . 14.5 p90 -149.22 170.16 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 108.03 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -124.91 158.91 32.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -39.94 143.71 0.58 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.02 -179.23 4.79 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.771 ' HB2' HD12 ' A' ' 43' ' ' LEU . 2.4 mptp? -38.5 145.67 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 36.2 tptt -68.35 -57.27 6.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -84.09 48.15 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.771 HD12 ' HB2' ' A' ' 40' ' ' LYS . 15.0 mt -147.58 -45.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' LEU . 4.0 mt-30 -33.08 -41.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 58.91 57.03 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.68 -177.01 29.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 48' ' ' ILE . 9.6 p -67.42 161.08 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.908 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.6 mm -110.61 127.45 67.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -79.99 -32.34 39.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.607 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 177.16 179.76 47.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.908 ' CE1' HG21 ' A' ' 48' ' ' ILE . 18.2 m-85 -135.21 147.04 49.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.664 ' C ' HD12 ' A' ' 53' ' ' ILE . 37.6 mt-30 -98.22 151.54 20.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.861 HG21 HD11 ' A' ' 82' ' ' LEU . 4.3 mp -131.79 102.56 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.418 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -96.31 109.38 3.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.559 ' HB2' HG12 ' A' ' 93' ' ' VAL . 23.2 p90 -124.51 141.88 51.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.58 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.7 152.91 27.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -48.03 147.66 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.43 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 3.1 t-20 -96.66 36.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.09 159.91 28.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 115.49 4.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.82 56.59 23.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 63' ' ' ASN . 64.2 m -75.41 -2.04 26.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.953 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 62' ' ' SER . 40.6 m-20 39.18 39.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.23 85.1 0.33 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -41.41 135.52 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.774 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.58 ' CD1' ' HG2' ' A' ' 56' ' ' ARG . 11.6 m-85 -42.16 112.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.405 ' CB ' ' CE1' ' A' ' 55' ' ' TYR . 36.4 m -64.62 105.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.418 HD13 ' CA ' ' A' ' 54' ' ' GLY . 42.5 mm -84.99 147.62 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.629 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -149.07 112.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.32 146.9 31.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.479 ' HB3' ' CE1' ' A' ' 80' ' ' TYR . 8.0 ptm -157.58 149.88 22.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 152.25 32.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.42 115.15 26.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.9 p -58.98 -41.66 88.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.345 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.46 -132.32 2.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.35 -41.84 94.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.8 p -112.52 148.84 33.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 14.5 mp0 -137.73 150.89 47.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 34' ' ' VAL . 7.2 p -149.26 146.91 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.479 ' CE1' ' HB3' ' A' ' 71' ' ' MET . 27.7 t80 -140.09 128.0 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m -82.67 104.16 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.861 HD11 HG21 ' A' ' 53' ' ' ILE . 64.2 mt -86.01 106.47 17.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.72 -177.64 3.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.41 ' O ' HD23 ' A' ' 85' ' ' LEU . 9.6 m-80 62.4 62.7 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 84' ' ' ASN . 44.9 mt -121.23 -172.23 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.4 161.18 13.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -91.03 129.94 36.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.2 t80 46.0 66.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.54 143.78 25.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -74.51 141.76 44.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -141.71 133.71 27.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.33 107.26 1.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.559 HG12 ' HB2' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -109.7 161.63 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 107' ' ' SER . 1.2 m -132.1 139.84 49.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.533 HG11 ' CE3' ' A' ' 36' ' ' TRP . 10.1 t -113.2 146.59 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -153.15 149.43 28.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.893 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.28 128.5 37.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 1.1 p90 -124.19 131.58 53.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.435 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 22.5 p30 -124.55 178.36 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -66.12 -12.85 58.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.435 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . . . -82.96 -23.96 33.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.57 -153.29 24.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.105 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 m -125.25 143.18 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -89.31 -173.26 46.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 162.5 37.01 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 83.9 p -86.56 150.31 24.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.44 ' O ' HG12 ' A' ' 94' ' ' VAL . 83.2 p -84.54 168.52 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.66 119.3 6.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -66.02 112.52 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.734 HD13 HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -89.1 -163.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.46 ' H ' HG22 ' A' ' 110' ' ' ILE . 7.5 p-10 -152.48 135.36 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.54 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.24 91.93 1.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.8 m -61.85 132.24 52.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.69 167.55 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -65.44 174.18 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.241 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.12 2.22 32.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.59 125.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 149.08 178.41 24.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 140.91 26.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.478 1.778 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.9 p -106.63 162.96 13.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.087 . . . . 0.0 109.998 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.1 m -104.47 146.88 28.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -153.37 81.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -152.63 144.39 23.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.84 89.18 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -87.93 169.83 11.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 0.731 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -150.52 -57.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.976 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.37 -154.31 16.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.574 HG22 ' O ' ' A' ' 8' ' ' ILE . 64.2 mt -85.45 66.2 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.2 p -172.12 110.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.533 ' O ' HG22 ' A' ' 10' ' ' THR . 31.3 m -87.99 16.35 6.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.424 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -127.26 96.21 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -53.09 172.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.89 145.23 50.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.13 159.09 2.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.53 35.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -120.96 56.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.15 137.31 2.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 168.34 25.06 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.7 mtp -111.67 171.49 7.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.0 t0 52.24 45.31 28.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.602 HG11 ' OG ' ' A' ' 107' ' ' SER . 8.6 t -85.63 106.13 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.402 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.5 t -146.05 150.61 36.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.782 HD21 HD13 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -104.69 166.33 10.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -167.28 115.91 0.68 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 109.73 2.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.505 1.792 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.736 HG23 HG23 ' A' ' 28' ' ' THR . 3.4 m -93.41 -33.85 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.736 HG23 HG23 ' A' ' 27' ' ' VAL . 42.2 p -116.8 -148.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 p -108.01 -32.32 7.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.031 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -124.82 45.42 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.446 ' O ' ' CG1' ' A' ' 32' ' ' ILE . 1.1 p -163.49 170.03 17.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.594 HD11 HG22 ' A' ' 114' ' ' THR . 28.0 mt -154.75 138.96 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.2 110.47 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.743 HG22 HD12 ' A' ' 24' ' ' LEU . 39.9 t -99.1 109.6 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.454 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.1 p -112.11 136.17 51.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.622 ' CD2' HG11 ' A' ' 95' ' ' VAL . 38.1 p90 -148.42 161.56 41.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 107.994 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . 18.3 mttt -118.27 155.42 30.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 76' ' ' ASP . . . -39.49 144.73 0.46 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.89 171.59 17.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -39.19 131.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.08 -42.31 99.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.23 -3.55 27.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 mt -117.5 31.88 6.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -117.71 93.85 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -75.18 60.46 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.92 175.91 32.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.523 HG22 ' N ' ' A' ' 48' ' ' ILE . 10.4 p -52.63 168.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.795 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.1 mm -116.53 132.6 65.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 49' ' ' ARG . 4.9 mmm180 -83.07 -33.03 26.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 173.24 176.68 41.94 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.977 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.5 m-85 -131.36 136.81 48.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.741 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.489 ' C ' HD12 ' A' ' 53' ' ' ILE . 58.3 mt-30 -84.61 142.43 29.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 1.048 ' CG2' HD21 ' A' ' 82' ' ' LEU . 3.9 mp -120.85 96.08 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -91.62 118.76 5.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.534 ' CD2' ' HG ' ' A' ' 82' ' ' LEU . 48.2 p90 -134.94 139.82 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.766 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.577 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -156.34 157.35 35.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.494 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 3.1 tt0 -54.61 130.22 39.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -92.08 37.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.38 152.15 83.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 91.55 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.801 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.06 36.51 2.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.3 149.49 27.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.982 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -134.52 70.66 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.94 97.84 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.133 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -38.61 124.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 9.1 m-85 -39.34 114.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.2 m -62.42 107.32 0.9 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.462 HD13 ' CA ' ' A' ' 54' ' ' GLY . 35.7 mm -88.74 147.22 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.579 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -140.41 119.73 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.69 137.53 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 78' ' ' GLU . 1.3 ppp? -144.71 -178.45 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.523 ' HE3' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -122.79 150.32 42.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.97 125.57 29.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.523 HG22 ' HE3' ' A' ' 72' ' ' LYS . 43.7 p -108.7 31.18 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.01 -156.66 22.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.147 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -73.33 -30.04 63.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 0.746 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 p -118.36 151.4 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.413 1.071 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.462 ' HB3' ' CE ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -137.8 163.4 31.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.454 HG23 ' CG2' ' A' ' 35' ' ' THR . 13.8 p -151.72 148.89 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.58 ' CD1' HD12 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -146.0 130.68 17.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.8 m -96.32 92.87 6.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.42 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.048 HD21 ' CG2' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -70.44 106.76 3.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -95.13 -172.12 2.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 61.54 55.68 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.456 HD12 HG13 ' A' ' 32' ' ' ILE . 26.6 mt -116.58 179.39 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.23 150.26 21.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -82.22 122.14 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 116' ' ' GLU . 5.1 t80 62.52 63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.81 139.77 20.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -75.78 138.07 40.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.494 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 15.1 m-85 -138.49 132.29 31.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.42 108.18 1.85 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.468 HG12 ' HB2' ' A' ' 55' ' ' TYR . 1.0 OUTLIER -103.66 164.19 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 m -138.86 122.02 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.622 HG11 ' CD2' ' A' ' 36' ' ' TRP . 20.0 t -95.06 146.76 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -150.68 146.1 26.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.977 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.2 121.69 33.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -119.87 132.44 55.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -124.29 178.32 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -63.4 -19.01 64.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.72 -24.47 49.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.4 -158.98 27.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.456 HG23 ' CB ' ' A' ' 98' ' ' PHE . 2.2 m -118.26 145.75 44.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -100.9 -168.0 28.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.01 39.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.788 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.63 163.87 13.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.602 ' OG ' HG11 ' A' ' 22' ' ' VAL . 99.3 p -86.13 164.71 17.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.26 123.73 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -65.2 130.68 44.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.782 HD13 HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -114.33 -163.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -153.51 142.11 20.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.606 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -150.86 92.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 47.3 m -60.25 114.75 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.594 HG22 HD11 ' A' ' 32' ' ' ILE . 39.8 p -54.5 156.99 3.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.429 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.7 mt -48.82 150.21 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . 1.4 pt-20 -76.88 -0.79 25.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.254 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 65.53 88.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.961 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -157.97 158.02 28.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 56.39 4.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.3 t 39.71 85.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.2 t -109.3 109.23 20.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 p -174.52 137.69 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 0.0 109.974 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -175.63 157.27 2.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.41 72.25 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.5 89.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.96 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 m -143.92 169.19 18.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.45 62.45 0.63 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.1 mt -102.07 115.47 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.347 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.22 70.37 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 m 61.44 134.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.365 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 41.4 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.69 -178.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.68 146.47 26.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.61 161.17 0.52 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 18.4 Cg_endo -74.98 139.17 24.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.784 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -109.66 45.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.403 ' HA2' ' HD3' ' A' ' 18' ' ' PRO . . . 178.78 142.32 4.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.98 174.29 13.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 168.32 25.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.3 mtp -107.55 162.92 13.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 56.09 50.63 13.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 t -88.63 106.17 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -146.25 151.45 37.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.88 HD12 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -103.9 164.72 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -160.91 115.48 1.34 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.81 2.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.438 1.757 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.83 HG23 HG23 ' A' ' 28' ' ' THR . 6.4 m -88.12 -35.79 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.83 HG23 HG23 ' A' ' 27' ' ' VAL . 30.1 p -120.6 -148.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.46 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.41 -23.22 10.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -126.57 40.44 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.346 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -164.97 168.39 17.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.2 mt -153.33 137.48 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -93.32 129.17 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.88 HG22 HD12 ' A' ' 24' ' ' LEU . 43.2 t -116.36 113.81 44.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -113.77 134.35 54.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.392 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.615 ' CD2' HG11 ' A' ' 95' ' ' VAL . 28.3 p90 -146.78 176.95 9.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -135.14 162.13 33.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -43.96 140.36 2.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.98 171.64 17.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.5 1.79 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -39.84 157.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.87 -51.25 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -65.04 -11.16 36.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.275 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -106.09 -20.31 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.439 ' HG2' HD11 ' A' ' 48' ' ' ILE . 1.2 mt-30 -50.51 -47.11 57.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 59.88 42.62 16.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.43 -158.84 14.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.485 HG22 ' H ' ' A' ' 48' ' ' ILE . 9.0 p -90.58 169.75 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.715 HG21 ' CE1' ' A' ' 51' ' ' TYR . 5.1 mm -113.76 150.09 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -115.32 -34.28 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.57 ' HA3' ' CZ ' ' A' ' 98' ' ' PHE . . . -174.7 172.03 45.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 1.015 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 6.0 m-85 -131.42 151.78 51.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -105.14 134.58 48.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.822 HG21 HD21 ' A' ' 82' ' ' LEU . 4.5 mp -111.78 105.87 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.574 ' HA2' HD13 ' A' ' 68' ' ' ILE . . . -97.02 107.44 3.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.521 ' HB2' HG12 ' A' ' 93' ' ' VAL . 27.9 p90 -124.77 142.89 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.21 145.42 20.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -60.51 138.71 57.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -95.95 38.76 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.89 168.44 16.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.05 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 106.31 2.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 161.59 -48.2 0.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.0 t -52.86 136.62 33.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 0.768 . . . . 0.0 110.049 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' A' ' 65' ' ' GLN . 8.8 p-10 -45.91 -31.9 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.15 -50.99 0.74 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.415 ' HB2' ' ND2' ' A' ' 63' ' ' ASN . 18.1 mt-30 -56.57 122.49 12.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 6.1 m-85 -57.17 119.08 5.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.495 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 14.9 m -62.78 107.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.574 HD13 ' HA2' ' A' ' 54' ' ' GLY . 32.6 mm -89.63 148.58 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.706 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -144.27 112.94 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.35 136.42 35.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.1 ptm -153.02 152.42 31.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 149.61 26.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.36 137.26 34.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.1 p -91.62 28.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 125.01 -140.35 12.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -72.93 -22.6 60.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 0.752 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.408 ' C ' ' CD ' ' A' ' 78' ' ' GLU . 76.6 p -119.4 153.31 35.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 17.5 mp0 -147.04 156.44 43.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 34' ' ' VAL . 9.2 p -151.09 148.9 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.427 ' CD2' HD13 ' A' ' 82' ' ' LEU . 21.1 t80 -146.5 133.79 20.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 111.068 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -102.7 109.29 20.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.425 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.822 HD21 HG21 ' A' ' 53' ' ' ILE . 2.7 mm? -78.7 106.68 10.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.4 OUTLIER -93.83 160.15 14.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 5.1 m-20 81.02 55.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.5 mt -118.85 172.52 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.454 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 15.5 tttm -87.07 157.76 19.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -90.65 127.54 36.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' CE2' ' OE2' ' A' ' 116' ' ' GLU . 6.9 t80 57.71 44.36 20.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.053 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.454 ' HB2' ' HG2' ' A' ' 86' ' ' LYS . . . -125.72 142.78 51.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.95 133.58 41.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 18.7 m-85 -135.9 127.9 29.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.21 100.26 1.07 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.521 HG12 ' HB2' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -100.72 163.4 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.27 128.43 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.615 HG11 ' CD2' ' A' ' 36' ' ' TRP . 11.5 t -98.42 148.13 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -153.36 139.86 18.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 1.015 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.2 133.54 35.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 2.3 p90 -129.17 137.21 51.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 15' ' ' PRO . 10.5 p30 -124.2 178.31 5.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -64.33 -13.15 48.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.35 -18.52 31.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.46 -169.58 25.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.1 m -108.07 153.58 22.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -102.03 -175.84 27.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 157.3 42.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 p -82.29 160.22 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.46 176.77 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.82 118.31 6.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -65.04 120.35 12.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.76 HD13 HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -99.78 -163.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.409 ' H ' HG22 ' A' ' 110' ' ' ILE . 13.0 p-10 -151.77 138.06 18.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.525 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -152.05 100.0 2.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.1 m -68.61 127.93 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.439 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.68 164.81 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 115' ' ' LEU . 10.5 mt -57.14 142.76 41.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.565 ' OE2' ' CE2' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -86.06 77.09 9.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.62 91.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 51.03 -175.8 0.07 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 110.83 3.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.45 1.763 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.7 t -141.94 -56.16 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.946 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.1 t -53.99 147.9 11.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.8 p -169.38 155.49 6.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 0.761 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.82 148.88 9.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.961 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.86 171.4 20.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 t -156.15 116.25 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 110.029 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -175.6 128.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.7 108.96 0.39 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.8 mm -107.04 144.27 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 m 44.83 82.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.532 ' O ' HG22 ' A' ' 10' ' ' THR . 33.2 m -89.3 16.28 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -126.01 95.45 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -102.95 174.9 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.497 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . . . -158.37 142.7 15.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.05 151.17 0.94 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 121.18 6.44 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -91.85 35.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.706 ' HA3' HD13 ' A' ' 43' ' ' LEU . . . -173.07 137.23 4.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -75.02 173.57 14.29 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.66 ' HG3' HG12 ' A' ' 95' ' ' VAL . 18.3 Cg_endo -75.03 150.58 38.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' LYS . 38.6 mtp -107.95 168.65 9.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.5 t0 56.14 27.21 11.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.767 HG23 HD13 ' A' ' 110' ' ' ILE . 1.2 m -85.47 118.26 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -153.57 146.79 24.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.05 HD12 HG22 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -89.19 164.98 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -160.35 116.88 1.46 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.43 ' HB2' ' CD2' ' A' ' 115' ' ' LEU . 18.4 Cg_endo -74.96 114.52 4.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.525 HG23 HG23 ' A' ' 28' ' ' THR . 1.5 m -107.44 -36.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.525 HG23 HG23 ' A' ' 27' ' ' VAL . 42.2 p -119.25 -164.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -91.04 -40.94 11.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.421 ' C ' ' HG ' ' A' ' 31' ' ' SER . 77.4 mt-30 -121.88 52.24 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.421 ' HG ' ' C ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -174.34 140.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.485 HG13 HD12 ' A' ' 85' ' ' LEU . 85.7 mt -133.4 149.03 30.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 58.8 tt0 -95.53 145.89 24.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.05 HG22 HD12 ' A' ' 24' ' ' LEU . 21.7 t -130.36 106.12 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.567 ' CG2' HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -114.56 132.86 56.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.375 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.596 ' CH2' HD11 ' A' ' 53' ' ' ILE . 48.1 p90 -142.94 177.27 8.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 107.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' MET . 7.3 mttt -128.78 164.9 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . . . -44.48 137.12 4.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.02 105.92 2.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.458 1.767 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.7 OUTLIER 47.65 -174.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -113.79 -52.41 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -90.68 36.37 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.706 HD13 ' HA3' ' A' ' 17' ' ' GLY . 13.6 mt -131.02 -41.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' A' ' 43' ' ' LEU . 5.5 mt-30 -32.46 -44.54 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 58.95 46.59 13.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.98 160.15 20.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.7 t -48.64 155.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.603 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.7 mm -104.49 134.64 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -85.35 -27.91 25.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.437 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 170.46 -178.08 43.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 1.022 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 9.2 m-85 -135.56 154.51 51.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -107.68 130.47 54.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.596 HD11 ' CH2' ' A' ' 36' ' ' TRP . 4.4 mp -113.51 101.34 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.5 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -97.65 107.57 3.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.481 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 53.6 p90 -121.32 144.98 48.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.96 145.94 20.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.531 ' HA ' ' CD1' ' A' ' 91' ' ' TYR . 1.6 tt0 -47.44 126.63 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -91.25 45.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.52 153.45 40.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 104.35 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.547 1.814 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.81 36.79 4.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 m -84.33 -176.59 6.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -53.65 -63.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.69 -59.01 0.56 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.456 1.097 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -52.02 119.93 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 7.8 m-85 -77.32 120.19 22.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.1 m -66.7 106.69 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.956 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.5 HD13 ' CA ' ' A' ' 54' ' ' GLY . 35.5 mm -90.97 141.76 13.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.593 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -134.16 112.06 15.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -86.08 134.7 33.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.255 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 3.1 ppp? -141.77 -174.36 4.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' O ' ' SD ' ' A' ' 71' ' ' MET . 3.6 mttm -104.21 158.96 16.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.2 96.9 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.0 p -53.68 -50.72 65.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.82 -134.19 2.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.574 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 69.9 m-20 -76.63 -35.3 58.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.401 ' O ' ' OE2' ' A' ' 78' ' ' GLU . 59.8 p -113.7 154.05 27.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.535 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 28.1 mm-40 -139.64 169.12 18.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.567 HG23 ' CG2' ' A' ' 35' ' ' THR . 7.5 p -151.15 150.67 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.473 ' CD1' HD12 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -147.23 136.81 22.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.2 m -104.55 94.54 5.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.426 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.496 HD21 ' CG2' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -69.66 121.05 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -115.12 167.75 10.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER 79.07 45.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.485 HD12 HG13 ' A' ' 32' ' ' ILE . 22.7 mt -104.85 -170.78 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.93 -171.81 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -107.59 131.49 54.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.492 ' CG ' ' OE1' ' A' ' 116' ' ' GLU . 6.7 t80 39.08 65.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.72 139.77 31.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -74.28 134.06 42.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 12.0 m-85 -134.41 123.06 23.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.8 133.26 11.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 94' ' ' VAL . 0.2 OUTLIER -135.5 163.22 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.491 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 10.9 m -136.26 119.45 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.66 HG12 ' HG3' ' A' ' 19' ' ' PRO . 37.1 t -90.09 140.65 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -153.62 137.29 16.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 1.022 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.44 134.84 34.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 98' ' ' PHE . 7.1 p90 -128.09 136.59 51.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -124.7 177.73 5.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -62.05 -23.42 66.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.497 ' HB1' ' HA ' ' A' ' 13' ' ' ALA . . . -75.76 -25.0 56.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 143.42 -176.2 23.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.2 m -98.81 157.02 16.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.759 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -111.87 -167.66 18.09 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.502 1.126 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.0 41.87 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.15 160.15 14.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.45 ' OG ' HG21 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -74.79 179.03 5.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -65.05 122.89 18.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 108' ' ' SER . 39.8 tt0 -37.85 104.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.838 HD12 ' CD2' ' A' ' 24' ' ' LEU . 9.0 pt -95.28 171.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 5.7 p-10 -154.63 174.92 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . 176.1 110.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 m -77.82 130.05 36.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.42 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.413 HG23 HD11 ' A' ' 32' ' ' ILE . 4.7 p -57.86 172.23 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.445 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -75.56 177.63 6.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.492 ' OE1' ' CG ' ' A' ' 88' ' ' PHE . 10.2 mm-40 -83.04 0.41 45.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.45 -176.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.25 158.96 42.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.7 41.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.15 162.6 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.051 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.87 153.34 35.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 t -62.79 109.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 0.0 110.037 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.64 143.69 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.07 65.76 0.57 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.03 115.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.777 . . . . 0.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 p -140.39 158.26 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.041 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.02 -136.17 1.95 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mt -74.41 113.0 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 m -112.38 41.86 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 11' ' ' GLU . 3.0 m -90.05 -144.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.468 ' H ' HG22 ' A' ' 10' ' ' THR . 6.7 pt-20 -178.55 126.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -57.16 -174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.94 156.15 47.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.493 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -50.14 164.35 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.11 132.67 15.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -103.0 40.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.14 136.9 4.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.28 13.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.565 ' HG3' HG12 ' A' ' 95' ' ' VAL . 18.2 Cg_endo -75.03 164.85 32.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.9 mtp -119.52 166.42 13.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t0 52.28 29.98 7.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.842 HG23 HD13 ' A' ' 110' ' ' ILE . 1.1 m -84.85 119.8 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.1 t -151.27 164.41 36.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.839 ' CD2' HG22 ' A' ' 34' ' ' VAL . 87.6 mt -107.83 167.34 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -166.93 121.28 0.84 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HB2' ' CD2' ' A' ' 115' ' ' LEU . 18.3 Cg_endo -75.03 117.15 4.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.557 1.82 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.621 HG23 HG23 ' A' ' 28' ' ' THR . 2.1 m -102.49 -36.91 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.621 HG23 HG23 ' A' ' 27' ' ' VAL . 18.4 p -124.91 -151.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.6 m -112.7 -11.22 13.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -134.65 28.17 3.62 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -159.7 166.66 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.602 HG13 HD12 ' A' ' 85' ' ' LEU . 53.9 mt -152.79 142.07 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -89.52 145.21 25.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.839 HG22 ' CD2' ' A' ' 24' ' ' LEU . 21.5 t -134.22 113.51 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.63 134.96 54.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.469 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CH2' HD11 ' A' ' 53' ' ' ILE . 27.4 p90 -148.18 163.06 38.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 107.961 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.7 159.0 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 76' ' ' ASP . . . -44.97 145.83 1.53 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.98 167.66 26.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.772 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -37.24 149.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -76.88 -44.16 33.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.81 -1.82 23.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.0 mt -118.15 3.91 12.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -70.27 -39.55 74.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 50.81 37.06 16.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.57 -161.73 16.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.55 HG22 ' H ' ' A' ' 48' ' ' ILE . 6.2 p -89.96 171.94 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 0.756 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.55 ' H ' HG22 ' A' ' 47' ' ' VAL . 3.0 mm -117.38 133.97 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -96.16 -28.29 14.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.571 ' HA3' ' CZ ' ' A' ' 98' ' ' PHE . . . 179.33 173.53 44.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.953 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 5.8 m-85 -129.16 151.95 49.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.421 ' NE2' HG21 ' A' ' 68' ' ' ILE . 54.9 mt-30 -106.86 128.85 54.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.718 ' O ' HG22 ' A' ' 69' ' ' VAL . 4.9 mp -111.06 102.88 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.486 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -94.62 107.65 3.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.084 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.572 ' CE1' HD12 ' A' ' 82' ' ' LEU . 34.0 p90 -124.0 142.68 50.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 0.812 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 1.5 ptm180 -156.92 143.31 18.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 1.2 tt0 -51.79 146.52 7.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -93.97 34.68 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.58 167.35 37.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.37 3.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 39.1 57.11 2.13 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.04 2.22 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 39.92 52.46 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -113.46 81.24 0.29 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -39.9 129.46 2.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.783 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD1' ' HG2' ' A' ' 56' ' ' ARG . 14.5 m-85 -39.79 108.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.5 m -62.53 108.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.486 HD13 ' CA ' ' A' ' 54' ' ' GLY . 39.9 mm -86.08 144.41 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -139.18 113.11 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -84.1 130.01 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 80' ' ' TYR . 7.3 ptm -144.62 148.42 34.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -72.26 150.18 43.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.38 109.16 20.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 77' ' ' SER . 46.3 p -52.24 -26.86 12.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.91 -136.01 4.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.555 1.159 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.59 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 81.4 m-20 -61.57 -33.75 74.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.415 ' O ' ' OG1' ' A' ' 74' ' ' THR . 12.3 p -119.56 150.29 40.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.453 ' OE1' ' NE1' ' A' ' 36' ' ' TRP . 6.9 mp0 -141.46 161.95 36.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 34' ' ' VAL . 7.5 p -151.91 149.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.458 ' CD1' ' SD ' ' A' ' 71' ' ' MET . 13.1 t80 -146.61 149.1 32.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -118.17 107.16 13.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.412 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.731 HD11 HG21 ' A' ' 69' ' ' VAL . 2.7 mm? -77.38 106.16 8.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.3 OUTLIER -93.79 164.67 13.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 10.1 m-80 78.49 49.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.602 HD12 HG13 ' A' ' 32' ' ' ILE . 21.0 mt -112.86 162.98 15.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 176.9 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -100.75 133.59 44.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.415 ' N ' ' OG1' ' A' ' 114' ' ' THR . 6.1 t80 44.71 66.95 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.98 137.71 25.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -74.57 120.97 20.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 9.9 m-85 -119.81 123.31 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.12 126.03 8.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.534 ' CG1' ' CB ' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -129.2 164.11 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.6 122.36 52.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.565 HG12 ' HG3' ' A' ' 19' ' ' PRO . 39.6 t -89.37 146.16 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -152.88 136.63 16.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.953 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -93.53 131.8 38.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.571 ' CZ ' ' HA3' ' A' ' 50' ' ' GLY . 1.6 p90 -124.79 138.71 54.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.411 ' ND2' ' HD3' ' A' ' 15' ' ' PRO . 25.1 p30 -122.23 178.5 4.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -27.68 64.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.74 -21.79 61.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.84 -159.02 26.42 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.538 HG23 ' HB3' ' A' ' 98' ' ' PHE . 11.5 m -109.32 153.7 23.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.98 -162.81 21.16 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 164.9 32.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.3 157.93 16.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 108' ' ' SER . 2.4 p -85.85 167.07 15.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 107' ' ' SER . 0.9 OUTLIER -39.9 159.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -81.92 84.31 6.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.842 HD13 HG23 ' A' ' 22' ' ' VAL . 23.7 pt -68.79 169.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 8.1 m-80 -153.16 173.55 15.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.685 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . 178.49 97.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.2 m -67.64 126.99 31.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 88' ' ' PHE . 4.9 p -55.85 171.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.4 OUTLIER -75.53 176.76 7.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.43 1.82 27.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.1 m 52.98 99.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.029 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.08 161.76 29.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.572 1.17 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 105.96 2.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 t -124.15 169.05 12.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.027 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.42 142.81 51.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.45 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.1 Cg_endo -75.04 138.63 23.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.36 23.99 12.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.91 146.16 10.78 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.46 14.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.513 ' HG3' HG12 ' A' ' 95' ' ' VAL . 18.3 Cg_endo -75.02 161.9 37.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.6 mtp -103.65 178.36 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' THR . 49.6 t0 48.32 30.75 2.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.59 HG12 HD11 ' A' ' 110' ' ' ILE . 22.0 t -76.57 110.62 12.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 t -154.62 158.61 39.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.016 ' CD2' HG22 ' A' ' 34' ' ' VAL . 56.3 mt -107.01 160.18 15.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -159.06 118.23 1.72 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.563 ' HB2' HD13 ' A' ' 115' ' ' LEU . 18.3 Cg_endo -74.97 117.84 5.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.792 HG23 HG23 ' A' ' 28' ' ' THR . 3.0 m -102.78 -36.47 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.792 HG23 HG23 ' A' ' 27' ' ' VAL . 13.0 p -121.2 -144.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.433 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -107.95 -47.25 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -110.92 42.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.245 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.39 151.86 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.056 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.569 HD11 HG23 ' A' ' 114' ' ' THR . 86.2 mt -139.85 150.51 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -100.18 127.02 46.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.016 HG22 ' CD2' ' A' ' 24' ' ' LEU . 68.7 t -113.17 113.86 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.443 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.7 p -115.11 142.62 46.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.558 ' CD2' HG11 ' A' ' 95' ' ' VAL . 20.3 p90 -156.15 162.37 40.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 107.95 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -115.0 169.6 8.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.66 137.62 62.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 101.88 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? 46.86 -170.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -117.33 -44.89 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -76.0 -31.07 58.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 45' ' ' ASN . 58.9 mt -74.85 -33.25 62.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' LEU . 6.9 mt-30 -38.5 -31.36 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 43' ' ' LEU . 97.5 m-20 41.28 60.26 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.77 166.88 42.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 48' ' ' ILE . 71.5 t -52.04 166.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.559 HG21 ' CE1' ' A' ' 51' ' ' TYR . 5.1 mm -116.45 137.17 51.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -83.86 -31.96 25.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.58 178.79 41.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 1.008 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 6.8 m-85 -131.49 164.35 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 0.738 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.437 ' CD ' HG21 ' A' ' 68' ' ' ILE . 15.6 mt-30 -113.64 129.65 56.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.65 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.0 mp -113.92 98.67 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.449 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -95.34 119.57 6.22 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.617 ' CD1' HD22 ' A' ' 82' ' ' LEU . 23.4 p90 -129.74 145.24 51.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.571 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -156.44 146.12 20.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.543 ' HA ' ' CE1' ' A' ' 91' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 56' ' ' ARG . 14.0 m-85 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.523 0.201 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.424 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 45.6 m -64.36 107.0 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.454 HD13 ' HA ' ' A' ' 68' ' ' ILE . 27.5 mm -84.56 145.25 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -135.89 118.16 21.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 71' ' ' MET . 2.1 tt0 -80.6 140.71 35.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.427 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 3.6 ppp? -149.32 178.38 8.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.416 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -117.37 151.87 36.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.29 100.51 11.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.3 p -60.8 -39.23 88.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.07 -144.57 4.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.32 -47.9 72.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.4 p -98.28 143.33 28.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.444 ' OE1' ' CE1' ' A' ' 51' ' ' TYR . 3.7 mt-10 -135.21 154.38 51.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.443 ' CG2' HG22 ' A' ' 35' ' ' THR . 10.3 p -150.31 150.89 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.26 121.21 10.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.7 m -86.23 100.6 12.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.65 HD11 ' CG2' ' A' ' 53' ' ' ILE . 11.5 mt -78.15 107.64 10.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.37 -175.66 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 62.06 57.92 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.44 HD12 HG13 ' A' ' 32' ' ' ILE . 38.6 mt -117.18 -176.57 3.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.18 177.8 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -100.13 128.72 46.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.356 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.8 t80 38.3 63.58 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.86 149.21 43.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -74.9 137.1 41.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 57' ' ' GLU . 5.4 m-85 -139.93 137.49 34.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.6 124.61 6.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.625 HG13 HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -131.21 157.94 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.79 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.406 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 16.5 m -126.05 163.22 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.558 HG11 ' CD2' ' A' ' 36' ' ' TRP . 25.1 t -134.81 134.67 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -143.7 143.92 31.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 1.008 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.48 123.09 34.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 2.9 p90 -120.79 129.01 53.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 102' ' ' GLY . 14.0 p30 -122.9 178.3 5.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -64.97 -26.68 68.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.57 -26.21 63.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.422 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 148.52 -171.15 28.95 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.533 1.145 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.9 m -109.55 160.24 16.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.15 -171.52 17.39 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.33 31.5 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.461 1.769 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.9 p -87.46 172.71 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.49 162.46 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.58 113.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -45.52 124.3 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.59 HD11 HG12 ' A' ' 22' ' ' VAL . 1.6 pt -112.33 -178.31 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 9.4 p-10 -152.65 172.91 15.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.543 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . 177.85 99.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.2 m -64.79 116.45 6.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.569 HG23 HD11 ' A' ' 32' ' ' ILE . 11.7 p -49.41 157.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.563 HD13 ' HB2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.96 143.61 29.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -114.61 46.27 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.94 140.32 4.62 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.79 15.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 158.51 42.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.4 ' O ' ' N ' ' A' ' 37' ' ' LYS . 47.8 mmm -102.18 172.6 6.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 57.6 t0 53.31 21.15 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.927 HG11 ' OG ' ' A' ' 107' ' ' SER . 89.4 t -65.92 106.2 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 t -150.41 154.57 37.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.963 ' CD2' HG22 ' A' ' 34' ' ' VAL . 26.3 mt -106.86 165.43 11.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -164.86 118.07 0.96 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 107.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.426 1.75 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.811 HG23 HG23 ' A' ' 28' ' ' THR . 3.5 m -92.98 -34.29 5.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.811 HG23 HG23 ' A' ' 27' ' ' VAL . 13.5 p -120.21 -154.04 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.43 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 p -111.84 -12.03 13.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -135.48 18.25 3.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 6.4 t -146.93 166.41 26.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.7 mt -147.76 147.71 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -100.83 110.26 22.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.963 HG22 ' CD2' ' A' ' 24' ' ' LEU . 62.4 t -99.14 108.68 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -114.07 138.96 49.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.799 ' CE3' HG11 ' A' ' 95' ' ' VAL . 14.3 p90 -148.07 -176.93 5.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 108.028 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.2 mtpt -136.73 162.15 33.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -48.27 141.79 8.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 167.77 26.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.673 ' HB2' HD12 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -37.94 139.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -51.93 45.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -64.78 -12.86 52.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.673 HD12 ' HB2' ' A' ' 40' ' ' LYS . 95.4 mt -104.16 -20.39 13.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 40' ' ' LYS . 4.9 mt-30 -54.29 -35.68 62.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 50.24 40.11 21.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.83 171.0 20.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.0 m -53.92 -178.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.556 HG21 ' CE1' ' A' ' 51' ' ' TYR . 5.5 mm -128.04 150.03 33.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -100.24 -31.12 11.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.405 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 173.77 177.1 42.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 1.003 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.0 m-85 -132.78 150.62 52.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -101.08 129.96 47.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.846 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.1 mp -108.94 96.73 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.435 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -95.58 123.66 7.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.809 ' CB ' HG22 ' A' ' 93' ' ' VAL . 32.0 p90 -145.87 143.83 29.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.567 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 2.0 ptm180 -156.64 148.16 22.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.364 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 15.1 m-85 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.492 0.187 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.606 ' OG ' ' CE1' ' A' ' 55' ' ' TYR . 54.2 p -61.84 109.15 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.968 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.435 HD13 ' CA ' ' A' ' 54' ' ' GLY . 38.2 mm -88.17 145.03 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.588 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -137.63 117.16 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 71' ' ' MET . 3.2 tt0 -80.56 140.62 35.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 2.0 ppp? -148.15 -176.65 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 111.006 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.484 ' HE3' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -122.89 149.7 43.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.88 130.56 37.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.376 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.484 HG22 ' HE3' ' A' ' 72' ' ' LYS . 69.8 p -111.53 27.1 9.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.418 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.39 -158.49 23.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.1 -28.55 62.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.767 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.1 p -112.46 141.13 46.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.593 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 2.6 mt-10 -136.07 153.77 51.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 34' ' ' VAL . 12.1 p -148.26 149.82 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -145.06 119.93 9.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.9 m -85.63 94.17 9.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.454 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.846 HD11 ' CG2' ' A' ' 53' ' ' ILE . 27.3 mt -72.41 106.73 4.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.85 -176.31 3.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.724 ' O ' HD23 ' A' ' 85' ' ' LEU . 12.1 m-20 62.59 65.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.724 HD23 ' O ' ' A' ' 84' ' ' ASN . 11.4 mt -130.25 177.01 7.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 170.12 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -99.11 136.94 38.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.5 t80 42.22 55.94 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.57 148.78 47.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -74.78 135.06 41.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -141.97 130.88 23.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.25 132.61 11.2 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.809 HG22 ' CB ' ' A' ' 55' ' ' TYR . 24.3 t -126.72 154.22 36.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 0.734 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.44 120.12 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.799 HG11 ' CE3' ' A' ' 36' ' ' TRP . 17.9 t -98.62 146.04 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -150.37 143.1 24.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 1.003 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.19 117.75 29.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.595 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -114.93 133.81 55.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.534 ' OD1' HG23 ' A' ' 48' ' ' ILE . 0.4 OUTLIER -124.22 170.59 10.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -25.88 64.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.18 -23.17 60.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.43 -172.64 29.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.2 m -108.58 148.69 29.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -101.84 -176.29 28.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.431 1.082 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 154.63 42.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.418 1.746 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.71 166.36 13.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.927 ' OG ' HG11 ' A' ' 22' ' ' VAL . 4.2 p -83.35 161.66 21.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.1 119.01 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -41.19 122.69 1.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.591 HD11 HG12 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -110.77 -172.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -151.05 173.45 14.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -179.03 77.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.9 m -47.78 112.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.0 p -48.21 148.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 35.4 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 123.08 7.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.554 ' O ' HD22 ' A' ' 43' ' ' LEU . 47.7 m-20 -93.64 46.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.647 ' HA3' HD13 ' A' ' 43' ' ' LEU . . . 174.41 141.51 3.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.16 21.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.51 1.795 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 18.1 Cg_endo -75.07 159.62 40.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.773 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' LYS . 6.0 mtp -99.85 174.58 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.2 t0 53.33 32.82 14.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.691 HG11 ' OG ' ' A' ' 107' ' ' SER . 33.9 t -74.38 106.89 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 t -153.33 154.64 34.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.048 ' CD2' HG22 ' A' ' 34' ' ' VAL . 18.9 mt -107.14 161.47 14.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.15 118.33 1.71 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.241 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.805 HG23 HG23 ' A' ' 28' ' ' THR . 4.0 m -109.26 -34.73 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.805 HG23 HG23 ' A' ' 27' ' ' VAL . 27.3 p -117.58 -164.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.0 m -90.56 -42.88 10.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -119.61 44.28 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.506 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.6 OUTLIER -164.12 148.34 9.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.954 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.527 HD11 ' CG2' ' A' ' 114' ' ' THR . 93.3 mt -134.63 155.84 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -104.96 125.59 51.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.048 HG22 ' CD2' ' A' ' 24' ' ' LEU . 85.6 t -110.43 111.62 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -114.44 142.47 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.69 ' CE3' HG11 ' A' ' 95' ' ' VAL . 13.6 p90 -153.68 178.36 9.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' MET . 2.5 mtpt -132.84 163.29 29.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.67 136.49 1.97 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.06 103.48 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER 45.66 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -117.4 -49.25 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -91.46 33.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.647 HD13 ' HA3' ' A' ' 17' ' ' GLY . 14.0 mt -130.33 -44.96 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' LEU . 47.0 mt-30 -36.75 -38.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 56.75 52.64 9.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.54 169.65 24.63 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.445 1.091 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.47 HG22 ' H ' ' A' ' 48' ' ' ILE . 9.8 p -54.25 168.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.862 HG21 ' CE1' ' A' ' 51' ' ' TYR . 7.4 mm -117.04 142.9 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.57 -31.22 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.578 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 175.81 -179.99 46.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.976 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 18.6 m-85 -137.31 161.04 37.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.743 ' C ' HD12 ' A' ' 53' ' ' ILE . 37.7 mt-30 -111.12 158.26 19.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.882 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.6 mp -139.57 101.98 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.425 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -95.8 115.41 5.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.501 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 34.9 p90 -126.94 146.26 50.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.736 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.573 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.97 132.29 9.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 3.5 tt0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 15.2 m-85 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.442 0.163 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.501 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 16.9 m -72.46 107.29 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 68' ' ' ILE . 31.3 mm -84.47 147.26 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -142.99 112.65 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -82.07 135.57 35.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.262 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.55 ' HB3' ' CE1' ' A' ' 80' ' ' TYR . 8.2 ptm -144.53 151.5 39.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.37 160.57 32.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.15 129.23 40.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.9 p -103.08 39.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.85 -155.43 17.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.89 -42.16 97.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.8 p -97.46 131.75 43.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.495 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 12.3 mp0 -135.61 145.42 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 34' ' ' VAL . 11.8 p -142.42 149.61 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 71' ' ' MET . 25.9 t80 -139.36 129.69 25.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.5 m -85.29 100.62 11.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.882 HD11 ' CG2' ' A' ' 53' ' ' ILE . 28.6 mt -81.27 108.33 14.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.48 -174.37 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 61.7 54.87 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.5 mt -113.98 -179.02 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 155.09 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -79.98 134.7 36.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.1 t80 39.99 66.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.79 142.11 25.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -74.69 140.78 44.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 6.4 m-85 -141.31 123.75 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.19 116.8 5.56 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.56 HG13 HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -127.01 162.07 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.474 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 31.6 m -126.68 178.71 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.69 HG11 ' CE3' ' A' ' 36' ' ' TRP . 17.1 t -147.71 141.19 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -151.45 147.85 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.976 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.41 136.75 32.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.594 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.5 p90 -129.49 131.12 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -124.29 178.37 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -65.25 -16.27 63.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.29 -26.04 33.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.239 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.98 -164.14 29.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 15.8 m -114.05 156.34 24.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -104.08 179.27 24.94 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 156.58 43.22 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.9 p -75.46 173.14 11.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.691 ' OG ' HG11 ' A' ' 22' ' ' VAL . 5.6 p -108.31 161.54 14.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.96 116.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -50.63 128.15 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.654 HD12 ' HG ' ' A' ' 24' ' ' LEU . 2.5 pt -111.18 -178.78 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -152.43 159.44 43.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -171.99 96.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.1 m -66.63 114.29 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.527 ' CG2' HD11 ' A' ' 32' ' ' ILE . 26.4 p -46.94 155.74 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.42 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.99 149.12 36.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -118.94 44.42 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.1 146.15 5.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.4 14.57 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 165.99 30.1 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.8 mtp -103.46 178.53 4.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t70 47.92 31.97 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.838 HG12 HD11 ' A' ' 110' ' ' ILE . 45.1 t -77.24 108.32 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.1 t -148.83 159.19 44.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.004 ' CD2' HG22 ' A' ' 34' ' ' VAL . 71.3 mt -110.6 165.44 11.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -166.64 118.42 0.78 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.478 ' HB2' ' CD1' ' A' ' 115' ' ' LEU . 18.2 Cg_endo -75.05 109.95 3.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.797 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 m -97.59 -33.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.484 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -130.51 172.53 11.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.422 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -80.5 -12.89 59.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -134.34 39.64 3.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -171.17 168.52 6.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.016 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.498 HG13 HD12 ' A' ' 85' ' ' LEU . 41.8 mt -153.74 140.94 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -91.83 132.38 36.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.004 HG22 ' CD2' ' A' ' 24' ' ' LEU . 94.4 t -124.18 114.36 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.46 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.9 p -116.16 143.61 45.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.792 ' CD2' HG11 ' A' ' 95' ' ' VAL . 22.5 p90 -155.59 161.78 40.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -114.69 173.72 6.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.431 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -57.23 138.37 80.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 97.74 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.515 1.797 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.569 ' HB2' HD12 ' A' ' 43' ' ' LEU . 0.9 OUTLIER 44.61 -167.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -116.79 -45.85 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.35 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.99 -20.57 57.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 40' ' ' LYS . 75.2 mt -82.14 -30.14 31.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -42.4 -37.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 45.43 44.61 9.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.1 157.97 23.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.0 t -48.85 157.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.513 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.2 mm -107.28 150.35 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -100.26 -33.68 10.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 175.9 176.42 44.1 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.993 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 6.8 m-85 -131.9 144.98 51.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -93.66 125.05 38.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.905 HG21 HD21 ' A' ' 82' ' ' LEU . 4.6 mp -105.71 95.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.489 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -88.96 127.06 8.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.573 ' CE1' HD12 ' A' ' 82' ' ' LEU . 52.9 p90 -141.16 139.35 33.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.3 OUTLIER -156.49 155.22 31.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.537 ' HA ' ' CE1' ' A' ' 91' ' ' TYR . 1.3 tt0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.565 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 11.2 m-85 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.52 0.2 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -64.39 105.62 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.489 HD13 ' CA ' ' A' ' 54' ' ' GLY . 30.7 mm -85.45 152.4 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -144.51 116.85 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.58 140.1 35.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.438 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -148.32 -176.26 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.438 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -120.82 148.43 44.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.0 111.43 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.7 p -67.9 -38.92 83.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.41 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.43 -140.63 3.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -20.23 61.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 80.9 p -129.16 143.62 50.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 12.5 mp0 -134.6 153.13 52.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.46 ' CG2' HG22 ' A' ' 35' ' ' THR . 9.4 p -143.48 150.8 17.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.479 ' CE1' HD13 ' A' ' 82' ' ' LEU . 5.1 t80 -146.52 143.74 29.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 3.3 m -116.09 102.32 9.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.905 HD21 HG21 ' A' ' 53' ' ' ILE . 2.9 mm? -75.01 106.51 6.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.448 ' OD1' ' ND2' ' A' ' 84' ' ' ASN . 0.3 OUTLIER -89.78 172.52 8.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.448 ' ND2' ' OD1' ' A' ' 83' ' ' ASP . 61.5 m-20 67.23 60.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.498 HD12 HG13 ' A' ' 32' ' ' ILE . 52.6 mt -120.41 145.85 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -57.8 -179.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 88' ' ' PHE . 36.6 mtpt -104.21 141.09 36.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 87' ' ' LYS . 9.4 t80 35.02 40.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.424 ' C ' HG23 ' A' ' 113' ' ' THR . . . -114.28 141.46 47.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -74.59 128.89 36.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.537 ' CE1' ' HA ' ' A' ' 57' ' ' GLU . 14.8 m-85 -131.67 145.02 51.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -120.95 110.09 1.65 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.564 HG22 ' CB ' ' A' ' 55' ' ' TYR . 85.4 t -101.84 155.79 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.774 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 m -137.09 143.51 34.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.792 HG11 ' CD2' ' A' ' 36' ' ' TRP . 14.7 t -122.2 145.15 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 5.8 pt20 -153.11 144.88 23.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.993 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.2 122.14 33.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 2.2 p90 -123.06 129.95 52.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -124.23 172.71 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -25.87 64.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.18 -24.69 63.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.32 -169.88 28.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.44 HG23 ' CB ' ' A' ' 98' ' ' PHE . 6.9 m -112.3 155.97 23.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 110.435 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.38 -174.1 17.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.539 1.15 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.51 42.77 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.469 1.773 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -99.61 172.98 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.96 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.605 ' OG ' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -83.06 160.21 21.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -57.61 115.43 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 108' ' ' SER . 24.8 tt0 -38.16 122.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.838 HD11 HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -95.21 -166.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -151.52 146.32 25.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -169.09 90.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.424 HG23 ' C ' ' A' ' 89' ' ' ALA . 54.7 m -69.05 108.47 3.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.47 HG22 HD11 ' A' ' 32' ' ' ILE . 74.8 p -38.95 158.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.435 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.64 HD22 ' H ' ' A' ' 115' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.16 42.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.49 ' O ' HD13 ' A' ' 43' ' ' LEU . 5.0 m-20 -123.95 55.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.85 143.72 3.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.96 17.29 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.774 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.402 ' HG2' ' HA ' ' A' ' 39' ' ' PRO . 39.6 mmm -109.72 176.03 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' THR . 35.0 t70 51.73 25.45 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.752 HG11 ' OG ' ' A' ' 107' ' ' SER . 46.8 t -68.5 108.0 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -152.48 157.08 40.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.971 ' CD2' HG22 ' A' ' 34' ' ' VAL . 33.6 mt -107.87 166.69 10.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -166.86 117.3 0.74 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 109.84 3.01 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -93.97 -33.75 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.431 ' CB ' ' HG ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -131.7 -176.79 4.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -59.54 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.402 ' NE2' ' HE2' ' A' ' 87' ' ' LYS . 2.1 mt-30 -106.74 54.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.431 ' HG ' ' CB ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -174.17 131.0 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.961 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' THR . 96.5 mt -122.24 154.32 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -109.45 129.59 55.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.971 HG22 ' CD2' ' A' ' 24' ' ' LEU . 48.9 t -116.06 113.32 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 21' ' ' ASP . 1.2 p -113.03 137.76 50.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.61 ' CD2' HG11 ' A' ' 95' ' ' VAL . 22.7 p90 -151.32 161.34 42.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -116.33 156.64 26.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -41.5 143.94 0.81 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.03 172.05 17.12 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.449 1.763 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -38.09 131.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -61.07 -54.61 42.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -61.19 -14.33 24.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 16' ' ' ASP . 79.8 mt -113.71 48.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -113.84 -40.32 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 55.97 41.35 29.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.77 -176.45 19.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.7 t -70.62 159.56 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.788 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.5 mm -105.73 141.67 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 49' ' ' ARG . 5.6 mmm180 -88.51 -44.83 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.425 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . -172.97 172.67 45.25 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.14 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.93 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.0 m-85 -129.77 136.42 49.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -85.93 133.83 33.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.734 HG21 HD21 ' A' ' 82' ' ' LEU . 4.2 mp -112.35 96.4 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 93' ' ' VAL . . . -92.07 108.3 3.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.467 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 28.1 p90 -121.97 143.11 49.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.582 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -156.64 143.29 18.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.49 ' HA ' ' CD1' ' A' ' 91' ' ' TYR . 1.5 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 11.8 m-85 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.499 0.19 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.45 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 66.0 m -64.49 104.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 39.3 mm -85.36 147.76 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.482 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -144.05 117.47 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -80.34 138.47 36.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 3.0 ppp? -145.22 -175.88 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.405 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -123.93 150.45 44.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.51 119.71 21.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.5 p -95.96 27.36 3.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.8 -146.15 16.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -81.13 -29.13 34.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 109.36 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.5 p -110.11 138.29 46.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.475 ' OE1' ' CE1' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -137.02 146.68 45.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.347 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 11.1 p -142.1 151.36 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.596 ' CE1' HD13 ' A' ' 82' ' ' LEU . 3.4 t80 -142.82 135.8 28.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 24.3 m -106.14 101.26 10.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.734 HD21 HG21 ' A' ' 53' ' ' ILE . 2.6 mm? -78.44 106.66 10.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.05 -177.47 4.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 61.52 48.52 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.073 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.5 mt -107.98 167.45 9.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -76.91 179.11 6.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HE2' ' NE2' ' A' ' 30' ' ' GLN . 7.1 mttm -101.04 130.51 47.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' LYS . 7.4 t80 37.58 63.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 111.042 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.52 145.97 43.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -74.39 133.25 42.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.49 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 4.3 m-85 -135.1 134.06 39.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.35 125.28 6.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.617 HG13 HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -126.03 161.3 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 109.357 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 6.2 m -137.9 125.23 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.61 HG11 ' CD2' ' A' ' 36' ' ' TRP . 19.0 t -97.48 146.13 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -146.9 145.74 29.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.93 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.53 121.59 33.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 1.0 OUTLIER -125.34 131.47 53.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.527 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 21.2 p30 -124.17 177.25 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -62.6 -19.54 63.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.527 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . . . -78.61 -25.59 45.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 151.03 -159.59 28.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.409 HG23 ' CB ' ' A' ' 98' ' ' PHE . 25.4 m -124.75 147.33 48.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.1 -169.57 26.05 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.91 42.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.5 1.789 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -91.01 166.93 12.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.752 ' OG ' HG11 ' A' ' 22' ' ' VAL . 93.2 p -87.64 157.1 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.12 162.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -87.75 124.06 33.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.654 HD11 HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -108.91 -172.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -150.98 158.09 43.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.628 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -169.32 89.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.4 m -59.0 131.71 51.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.8 p -61.59 176.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 129.58 12.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.35 32.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -171.27 146.71 9.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.81 13.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.48 26.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.29 170.8 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 t0 48.27 44.23 19.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.541 HG11 ' OG ' ' A' ' 107' ' ' SER . 89.1 t -82.07 106.23 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.222 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 t -150.7 162.66 40.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.042 ' CD2' HG22 ' A' ' 34' ' ' VAL . 30.1 mt -117.01 157.98 24.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -161.04 117.77 1.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 121.15 6.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.6 HG23 HG23 ' A' ' 28' ' ' THR . 2.6 m -100.28 -34.12 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.6 HG23 HG23 ' A' ' 27' ' ' VAL . 64.5 p -117.78 -146.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.8 m -112.82 -24.47 9.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -128.39 38.38 3.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 5.8 t -163.5 166.9 22.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.03 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 81' ' ' THR . 58.5 mt -148.73 156.91 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -107.87 115.09 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.042 HG22 ' CD2' ' A' ' 24' ' ' LEU . 52.9 t -102.09 107.6 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.446 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.1 p -110.04 137.16 48.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.785 ' CD2' HG11 ' A' ' 95' ' ' VAL . 25.8 p90 -151.91 160.71 43.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 107.97 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -117.57 155.71 29.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.18 139.86 0.99 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.96 176.14 10.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.784 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.555 ' HB2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -38.58 142.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -56.4 5.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.01 -14.3 15.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' ' 40' ' ' LYS . 87.5 mt -101.9 -34.63 9.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' LYS . 3.6 mt-30 -37.73 -32.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . 56.0 m-20 49.56 48.53 21.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.03 176.77 34.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.51 HG22 ' N ' ' A' ' 48' ' ' ILE . 14.9 p -58.03 169.15 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.51 ' N ' HG22 ' A' ' 47' ' ' VAL . 4.7 mm -119.63 131.05 73.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -78.34 -27.39 47.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 173.61 -177.27 46.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.981 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 14.4 m-85 -135.46 163.26 30.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 0.736 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.527 ' C ' HD12 ' A' ' 53' ' ' ILE . 34.8 mt-30 -114.22 145.67 41.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.845 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.4 mp -127.36 97.19 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 93' ' ' VAL . . . -90.73 113.61 4.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.489 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 22.8 p90 -127.18 145.65 50.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 0.712 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.566 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 1.3 ptt180 -157.08 135.27 11.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.508 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 2.5 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.566 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 8.1 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.476 0.179 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.0 m -68.8 104.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.458 ' CG2' ' NE2' ' A' ' 52' ' ' GLN . 20.6 mm -84.4 123.88 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -124.58 112.82 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.54 137.18 32.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.427 ' HE1' ' HB3' ' A' ' 78' ' ' GLU . 1.6 ppp? -135.78 -177.03 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.417 ' O ' ' SD ' ' A' ' 71' ' ' MET . 2.4 mttm -97.03 155.65 16.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.38 101.79 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.413 ' H ' HG23 ' A' ' 74' ' ' THR . 55.3 p -50.19 -44.43 52.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.411 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.79 -126.81 1.06 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.78 -43.72 75.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.9 p -108.77 146.05 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.975 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.445 ' OE1' ' NE1' ' A' ' 36' ' ' TRP . 3.2 mp0 -138.49 147.85 43.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.446 ' CG2' HG22 ' A' ' 35' ' ' THR . 11.0 p -143.08 150.59 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -145.54 138.93 26.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 3.8 m -102.51 99.98 10.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.845 HD11 ' CG2' ' A' ' 53' ' ' ILE . 14.4 mt -77.62 106.37 9.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.28 -175.51 3.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 62.59 58.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.5 mt -116.8 -174.47 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.64 173.96 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -98.39 107.81 20.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.6 t80 58.69 72.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.02 150.0 33.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -74.6 130.42 39.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.508 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 2.1 m-85 -131.62 131.21 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -114.6 108.58 2.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.686 HG13 HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -117.5 156.23 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.5 m -125.79 152.48 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.785 HG11 ' CD2' ' A' ' 36' ' ' TRP . 23.0 t -122.3 139.75 48.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -148.28 144.99 27.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.981 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.23 132.38 36.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.6 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 1.8 p90 -127.38 133.65 50.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.567 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 16.5 p30 -124.11 178.5 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -66.37 -15.75 63.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.567 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . . . -82.68 -25.7 32.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 150.29 -172.71 30.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 111.06 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.7 m -109.75 157.82 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.18 -176.08 26.46 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.6 41.87 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.804 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.96 152.1 38.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.541 ' OG ' HG11 ' A' ' 22' ' ' VAL . 83.0 p -81.45 169.43 17.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.13 118.3 6.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.84 124.52 20.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.525 HG22 ' H ' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -109.29 -163.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.525 ' H ' HG22 ' A' ' 110' ' ' ILE . 34.6 p30 -148.76 152.72 37.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -166.12 98.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.3 m -70.81 123.63 22.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 30.0 p -61.78 152.51 31.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.367 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 19.3 mt . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.404 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.1 Cg_endo -74.99 144.51 30.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.504 1.791 . . . . 0.0 110.967 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -114.86 37.95 3.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.96 139.96 5.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.81 13.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.3 mtp -108.9 173.14 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 49.83 40.86 21.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.739 HG11 ' OG ' ' A' ' 107' ' ' SER . 36.2 t -81.05 106.38 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -150.85 154.88 38.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.434 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.913 ' CD2' HG22 ' A' ' 34' ' ' VAL . 70.1 mt -105.69 165.82 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -164.52 118.47 1.0 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 114.52 4.04 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.458 1.768 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.742 HG23 HG23 ' A' ' 28' ' ' THR . 5.2 m -93.71 -37.82 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.742 HG23 HG23 ' A' ' 27' ' ' VAL . 26.2 p -126.25 -144.78 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.384 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.64 -23.72 10.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -126.25 38.19 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 11.6 t -168.9 156.53 7.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.705 HG13 HD12 ' A' ' 85' ' ' LEU . 63.0 mt -142.5 148.69 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -98.02 117.94 33.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.913 HG22 ' CD2' ' A' ' 24' ' ' LEU . 77.6 t -107.08 105.05 18.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.408 HG22 ' HB ' ' A' ' 79' ' ' VAL . 1.2 p -109.8 139.1 45.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.55 ' CH2' HD11 ' A' ' 53' ' ' ILE . 36.2 p90 -148.87 159.16 44.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 107.986 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 14.9 mttt -113.65 153.35 29.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 76' ' ' ASP . . . -39.93 142.89 0.64 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -74.97 174.77 12.21 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.816 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 39' ' ' PRO . 1.0 OUTLIER -39.56 148.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -77.59 -45.84 24.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.67 -11.17 60.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 mt -105.01 -13.87 15.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.35 -45.97 65.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 54.14 47.85 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.92 159.31 29.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.5 HG22 ' H ' ' A' ' 48' ' ' ILE . 11.7 p -48.75 170.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.5 ' H ' HG22 ' A' ' 47' ' ' VAL . 4.1 mm -116.33 137.78 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -87.15 -31.94 20.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.422 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 177.94 174.42 44.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.766 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 5.7 m-85 -129.81 143.23 50.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -93.5 130.24 39.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.881 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.8 mp -114.87 96.46 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -93.14 115.58 4.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 21.1 p90 -126.94 143.69 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -156.62 136.11 12.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.251 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 15.9 m-85 . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.493 0.187 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.544 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 50.3 m -70.07 106.73 3.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.2 mm -86.58 135.65 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.546 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -127.14 118.79 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -80.64 139.45 36.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.441 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 4.2 ppp? -147.32 178.9 8.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.518 ' NZ ' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -121.03 146.98 46.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.03 115.61 22.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.518 HG22 ' NZ ' ' A' ' 72' ' ' LYS . 43.9 p -72.36 -40.15 67.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 110.441 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.23 -128.37 1.04 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -83.75 -39.58 19.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.786 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 p -109.78 144.98 37.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 19.7 mm-40 -134.4 162.48 32.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.408 ' HB ' HG22 ' A' ' 35' ' ' THR . 8.4 p -149.85 152.3 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -146.34 123.3 11.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -88.2 93.7 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.881 HD11 ' CG2' ' A' ' 53' ' ' ILE . 15.8 mt -75.42 105.95 6.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.98 179.04 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.849 ' O ' HD23 ' A' ' 85' ' ' LEU . 6.9 m-80 63.88 68.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.849 HD23 ' O ' ' A' ' 84' ' ' ASN . 10.1 mt -134.59 133.25 40.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 145.26 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -78.27 140.92 38.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 8.2 t80 44.32 62.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.03 141.67 23.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -74.85 125.06 28.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -120.67 124.13 44.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.15 119.55 6.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.772 HG13 HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -131.11 159.91 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.434 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 35.9 m -127.29 171.37 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.483 HG11 ' CD2' ' A' ' 36' ' ' TRP . 21.4 t -142.2 139.02 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -148.32 144.59 27.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.766 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.1 117.72 29.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 2.4 p90 -113.16 131.46 55.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -124.31 178.19 5.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -20.54 66.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.69 -16.44 57.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.18 -162.48 27.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.7 m -120.28 148.8 43.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 110.446 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -101.91 -178.54 27.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 155.66 43.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.15 177.34 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.02 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.739 ' OG ' HG11 ' A' ' 22' ' ' VAL . 15.3 p -102.39 165.62 11.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.73 121.99 2.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -52.3 117.88 3.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.674 HD12 ' HG ' ' A' ' 24' ' ' LEU . 4.2 pt -105.08 -177.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 22.8 m-80 -152.87 173.81 14.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -179.3 101.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.5 m -66.54 114.17 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.439 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.433 ' CG2' HD11 ' A' ' 32' ' ' ILE . 10.5 p -49.39 157.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 60.6 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 18.2 Cg_endo -75.03 108.89 2.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -84.62 50.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.702 ' HA3' HD13 ' A' ' 43' ' ' LEU . . . 177.89 138.48 3.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 168.99 23.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 155.35 43.26 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 41.9 mtp -101.59 177.22 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 35' ' ' THR . 13.1 t0 54.31 27.02 7.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.85 HG12 HD13 ' A' ' 110' ' ' ILE . 21.9 t -75.96 111.01 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -153.07 149.31 27.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.388 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.787 HD22 HG22 ' A' ' 34' ' ' VAL . 68.4 mt -100.44 164.69 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -167.06 118.84 0.75 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.29 6.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.819 HG23 HG23 ' A' ' 28' ' ' THR . 2.7 m -111.37 -35.48 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.819 HG23 HG23 ' A' ' 27' ' ' VAL . 7.9 p -117.57 -170.41 1.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.1 m -90.58 -21.42 21.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -136.53 47.45 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -168.16 166.71 12.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.6 mt -151.05 142.2 16.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -93.08 123.11 36.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.94 ' O ' HG23 ' A' ' 79' ' ' VAL . 50.4 t -111.78 128.15 68.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 21' ' ' ASP . 1.1 p -129.33 145.98 51.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.808 ' CD2' HG11 ' A' ' 95' ' ' VAL . 15.1 p90 -159.3 165.89 32.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 107.978 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.7 177.5 5.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -53.56 136.13 53.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 100.27 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.801 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? 46.48 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.31 -49.38 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -76.42 -4.33 41.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.702 HD13 ' HA3' ' A' ' 17' ' ' GLY . 53.8 mt -98.43 -32.41 11.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -42.79 -39.86 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 44.97 45.32 8.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.79 165.27 21.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 m -51.83 175.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.345 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.473 HG22 ' H ' ' A' ' 50' ' ' GLY . 4.8 mm -124.93 144.93 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -94.69 -22.02 18.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.473 ' H ' HG22 ' A' ' 48' ' ' ILE . . . 161.9 -176.82 38.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 1.088 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 8.4 m-85 -136.46 156.63 48.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.41 ' NE2' HG21 ' A' ' 68' ' ' ILE . 26.3 mt-30 -103.43 130.71 50.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.926 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.5 mp -111.39 100.75 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -102.29 136.34 12.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.664 ' CE1' HD22 ' A' ' 82' ' ' LEU . 4.0 p90 -152.85 145.56 24.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.576 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.51 158.51 37.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.576 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 10.3 m-85 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.524 0.202 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.9 m -62.15 109.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.968 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.41 HG21 ' NE2' ' A' ' 52' ' ' GLN . 32.1 mm -88.02 138.36 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -128.35 116.49 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 71' ' ' MET . 1.6 tt0 -80.94 138.67 36.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.244 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.421 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 1.5 ppp? -147.1 -178.2 6.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -115.19 156.92 24.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.78 113.62 25.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 38.8 p -85.88 1.94 47.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 159.3 -147.16 14.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.68 -38.37 29.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 83.5 p -104.69 123.72 48.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.582 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 2.2 mp0 -117.98 157.69 26.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 34' ' ' VAL . 7.2 p -150.76 147.17 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -144.65 124.88 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 m -86.21 95.88 9.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.926 HD11 ' CG2' ' A' ' 53' ' ' ILE . 16.2 mt -75.38 106.37 6.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.93 178.13 5.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.453 ' O ' HD23 ' A' ' 85' ' ' LEU . 7.8 m-20 70.48 60.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 84' ' ' ASN . 13.8 mt -123.43 175.01 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.25 177.32 6.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 88' ' ' PHE . 10.4 mtmt -99.67 137.78 37.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 87' ' ' LYS . 7.7 t80 35.78 57.59 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.52 148.56 50.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -74.95 128.51 35.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -133.74 123.24 24.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.36 129.87 10.05 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.585 HG22 ' CB ' ' A' ' 55' ' ' TYR . 47.5 t -125.31 142.37 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.7 m -128.5 126.04 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.808 HG11 ' CD2' ' A' ' 36' ' ' TRP . 19.1 t -106.41 143.35 17.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -151.21 145.23 25.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 1.088 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.72 137.05 32.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 1.7 p90 -134.78 130.65 36.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.484 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 21.9 p30 -124.3 178.25 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -61.83 -23.17 66.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.484 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . . . -73.91 -26.1 60.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 150.38 -162.43 29.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.1 m -115.72 149.54 38.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -99.92 -179.39 30.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 164.58 32.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.0 p -93.28 162.56 13.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.478 ' OG ' HG11 ' A' ' 22' ' ' VAL . 2.2 p -93.52 166.87 12.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.48 ' O ' HG23 ' A' ' 110' ' ' ILE . 0.7 OUTLIER -40.61 125.86 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.985 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.71 85.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.85 HD13 HG12 ' A' ' 22' ' ' VAL . 28.6 pt -70.03 168.3 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.465 ' C ' HD12 ' A' ' 24' ' ' LEU . 1.4 p-10 -148.06 170.86 16.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -174.44 102.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 83.3 m -68.61 107.49 2.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.7 p -41.45 160.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 110.383 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.446 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.446 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.1 Cg_endo -75.06 150.95 38.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -120.27 59.43 0.9 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.52 141.97 3.3 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.14 29.85 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.471 1.774 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.56 22.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 45.7 mmm -107.03 176.61 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t70 50.22 26.49 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.36 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.27 107.12 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.476 ' HA ' HD12 ' A' ' 110' ' ' ILE . 14.0 t -152.74 164.88 36.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.018 ' CD2' HG22 ' A' ' 34' ' ' VAL . 48.1 mt -117.69 162.24 18.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.97 117.74 0.73 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 119.53 5.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.685 HG23 HG23 ' A' ' 28' ' ' THR . 1.8 m -102.21 -33.37 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.685 HG23 HG23 ' A' ' 27' ' ' VAL . 20.6 p -119.37 -150.99 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.29 -22.27 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -132.01 25.23 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -152.82 143.7 22.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.969 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.423 HD11 ' CG2' ' A' ' 114' ' ' THR . 83.3 mt -126.2 160.39 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -108.91 113.61 26.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.018 HG22 ' CD2' ' A' ' 24' ' ' LEU . 93.1 t -102.47 112.19 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.416 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.5 p -115.19 142.95 45.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.395 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.622 ' CD2' HG11 ' A' ' 95' ' ' VAL . 31.4 p90 -155.85 164.62 38.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -125.28 153.59 43.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.264 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.21 142.39 0.73 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 168.6 24.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.781 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.59 131.13 2.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -50.95 -47.37 61.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.35 -22.53 66.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.4 mt -106.72 52.59 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -121.71 -47.52 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 60.58 62.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.21 168.0 44.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 48' ' ' ILE . 84.2 t -52.29 164.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.628 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.2 mm -115.1 133.34 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -81.64 -30.25 32.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.417 ' C ' ' CD2' ' A' ' 98' ' ' PHE . . . 172.08 179.26 42.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.899 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.0 m-85 -132.13 137.94 47.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -85.0 144.2 28.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.839 ' CG2' HD11 ' A' ' 82' ' ' LEU . 5.4 mp -126.33 95.22 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 93' ' ' VAL . . . -92.89 122.66 7.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.599 ' CD1' HD22 ' A' ' 82' ' ' LEU . 22.4 p90 -131.56 142.23 49.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.567 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.51 146.88 21.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.567 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 12.7 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.553 0.216 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.494 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 68.4 m -67.42 105.72 1.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 68' ' ' ILE . 34.0 mm -83.94 142.43 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -135.2 115.12 17.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -80.35 139.59 36.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -146.27 179.93 7.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -115.72 152.65 32.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.39 121.15 26.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.2 p -97.94 15.13 24.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.48 -159.71 27.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.6 -30.42 68.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.742 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.4 p -109.99 138.01 46.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.598 ' OE2' ' CE1' ' A' ' 51' ' ' TYR . 2.3 mp0 -135.56 157.21 47.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 34' ' ' VAL . 10.3 p -150.23 152.71 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -145.11 122.89 11.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.2 m -87.57 93.59 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.839 HD11 ' CG2' ' A' ' 53' ' ' ILE . 31.2 mt -75.51 106.93 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -103.2 -170.62 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 62.19 53.01 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.8 mt -115.74 -169.62 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.51 172.21 7.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -102.59 122.62 44.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.2 t80 57.9 62.2 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.1 143.21 25.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -76.66 140.51 40.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -139.71 134.18 31.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -111.63 119.51 5.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.143 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.646 HG13 HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -123.6 156.8 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.8 m -127.69 152.9 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.622 HG11 ' CD2' ' A' ' 36' ' ' TRP . 5.6 t -128.39 144.61 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -153.41 154.55 34.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.899 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.08 120.08 31.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.645 ' CB ' HG23 ' A' ' 103' ' ' THR . 0.5 OUTLIER -116.55 130.72 56.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.62 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 22.5 p30 -124.47 178.31 5.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -63.54 -16.55 61.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.62 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . . . -82.21 -26.04 33.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 148.48 -167.06 29.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.645 HG23 ' CB ' ' A' ' 98' ' ' PHE . 2.3 m -114.34 145.31 41.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 110.398 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -91.22 -170.09 42.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.31 41.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 m -79.77 156.03 27.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.53 153.7 21.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.52 120.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.09 125.29 24.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -107.41 -163.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -150.64 154.46 37.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.06 93.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.9 m -63.28 116.52 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.423 ' CG2' HD11 ' A' ' 32' ' ' ILE . 11.3 p -53.46 145.1 15.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 24.7 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 150.61 38.59 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.33 29.38 7.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.99 147.69 11.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.29 14.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 168.52 24.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.442 1.759 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.6 mmm -109.75 175.35 5.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t0 51.15 30.02 5.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.655 HG11 ' OG ' ' A' ' 107' ' ' SER . 61.0 t -74.9 109.77 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -148.34 155.67 41.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.353 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.663 HD22 HG22 ' A' ' 34' ' ' VAL . 70.9 mt -111.29 161.39 16.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.478 ' C ' HG23 ' A' ' 32' ' ' ILE . 2.4 tt0 -165.9 117.61 0.84 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.766 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.65 HG23 HG23 ' A' ' 28' ' ' THR . 3.2 m -96.91 -34.22 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.65 HG23 HG23 ' A' ' 27' ' ' VAL . 31.0 p -125.88 -162.34 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 t -89.51 -35.75 15.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.42 ' C ' ' OG ' ' A' ' 31' ' ' SER . 79.0 mt-30 -124.37 54.37 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.554 ' HA ' HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -176.99 151.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.478 HG23 ' C ' ' A' ' 25' ' ' GLN . 85.9 mt -140.77 150.01 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -99.0 118.27 35.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.663 HG22 HD22 ' A' ' 24' ' ' LEU . 17.6 t -107.29 109.17 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.6 HG23 HG23 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -117.62 128.74 55.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 110.414 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.875 ' CD2' HG11 ' A' ' 95' ' ' VAL . 30.9 p90 -144.01 160.76 40.29 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -111.47 161.12 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.64 148.86 1.6 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.02 174.1 13.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -38.57 134.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -60.73 -53.72 53.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -58.93 -20.23 50.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.3 mt -110.89 49.36 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -106.29 -31.59 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 81.0 m-20 41.3 59.99 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.5 155.12 19.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 48' ' ' ILE . 55.6 t -43.86 163.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.853 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.2 mm -105.13 125.53 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.082 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.475 ' CD ' ' HG3' ' A' ' 100' ' ' ARG . 0.7 OUTLIER -72.69 -46.66 52.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.63 ' HA2' ' HB2' ' A' ' 73' ' ' ALA . . . -171.58 174.92 45.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.885 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 8.2 m-85 -130.05 164.27 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.433 ' C ' HD12 ' A' ' 53' ' ' ILE . 21.6 mt-30 -119.3 137.86 53.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.842 ' CG2' HD11 ' A' ' 82' ' ' LEU . 3.9 mp -115.57 102.19 13.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 93' ' ' VAL . . . -96.35 125.99 8.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.687 ' CE1' HD22 ' A' ' 82' ' ' LEU . 17.9 p90 -145.16 147.39 32.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.54 158.46 37.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 7.8 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.524 0.202 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.8 m -62.52 106.04 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.049 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.444 HD13 ' HA ' ' A' ' 68' ' ' ILE . 25.7 mm -85.28 137.97 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -140.3 113.02 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.601 ' CD ' ' CZ ' ' A' ' 98' ' ' PHE . 4.3 tt0 -87.95 139.61 30.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 1.7 ppp? -133.37 -177.37 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.419 ' O ' ' SD ' ' A' ' 71' ' ' MET . 2.8 mttm -88.4 147.33 24.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.63 ' HB2' ' HA2' ' A' ' 50' ' ' GLY . . . -104.41 118.1 35.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.638 HG23 ' OE1' ' A' ' 78' ' ' GLU . 17.1 p -66.17 -47.22 74.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 76' ' ' ASP . . . 112.24 59.42 0.44 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 2.7 m-20 155.91 -44.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.411 ' O ' ' CD ' ' A' ' 78' ' ' GLU . 52.9 p -145.39 152.81 40.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.045 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.638 ' OE1' HG23 ' A' ' 74' ' ' THR . 21.3 mm-40 -144.44 151.78 39.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.6 HG23 HG23 ' A' ' 35' ' ' THR . 10.9 p -154.16 146.48 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -147.01 123.17 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 m -89.23 96.79 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.386 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.842 HD11 ' CG2' ' A' ' 53' ' ' ILE . 32.4 mt -74.88 123.28 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 5.7 p30 -122.54 167.69 13.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 5.7 m120 84.57 44.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.762 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -99.63 -163.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.19 -175.03 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -108.98 112.58 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.7 t80 57.19 63.07 1.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.2 155.65 43.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -75.53 140.86 43.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 2.9 m-85 -139.03 134.58 33.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.71 123.08 4.77 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.628 HG22 HD21 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -120.41 164.21 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.4 m -140.34 120.94 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.875 HG11 ' CD2' ' A' ' 36' ' ' TRP . 15.1 t -96.37 147.43 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -151.94 144.17 23.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.246 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.885 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.5 135.53 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.601 ' CZ ' ' CD ' ' A' ' 70' ' ' GLU . 1.0 OUTLIER -133.04 138.24 46.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.958 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 99' ' ' ASN . 0.5 OUTLIER -124.39 178.02 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.475 ' HG3' ' CD ' ' A' ' 49' ' ' ARG . 1.9 mtt-85 -59.35 -22.7 61.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.417 ' HB3' ' N ' ' A' ' 14' ' ' ALA . . . -74.92 -26.01 59.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.98 -153.03 25.03 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.4 m -121.5 156.88 31.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 110.368 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.63 -168.06 19.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 161.43 38.76 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.69 164.94 12.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.655 ' OG ' HG11 ' A' ' 22' ' ' VAL . 57.5 p -83.99 159.19 21.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.18 121.59 5.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -55.79 125.85 23.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.619 HG22 ' H ' ' A' ' 111' ' ' ASN . 0.8 OUTLIER -105.12 -162.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.338 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.619 ' H ' HG22 ' A' ' 110' ' ' ILE . 12.1 p-10 -150.85 153.72 35.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.35 90.08 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 83.6 m -65.51 108.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 54.6 p -45.87 149.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 68.7 mt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 153.4 41.75 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -124.76 60.56 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 170.77 128.03 0.99 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.07 17.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.07 23.43 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.498 1.788 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.71 177.86 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 t0 47.57 34.14 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.538 HG12 HD11 ' A' ' 110' ' ' ILE . 38.8 t -78.24 106.41 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -147.39 160.5 42.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.975 ' CD2' HG22 ' A' ' 34' ' ' VAL . 52.5 mt -110.33 163.46 13.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -164.83 118.29 0.97 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.591 HG23 HG23 ' A' ' 28' ' ' THR . 2.8 m -101.14 -38.13 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.591 HG23 HG23 ' A' ' 27' ' ' VAL . 44.2 p -120.12 -148.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -109.16 -24.37 11.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -128.6 44.34 2.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 9.3 t -168.87 165.24 11.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.401 HD11 HG23 ' A' ' 114' ' ' THR . 44.9 mt -151.62 146.76 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -99.01 117.89 34.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.975 HG22 ' CD2' ' A' ' 24' ' ' LEU . 44.8 t -106.36 108.5 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.472 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.1 p -110.27 137.47 47.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.453 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.889 ' CD2' HG11 ' A' ' 95' ' ' VAL . 28.0 p90 -148.31 163.64 36.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt -119.45 170.59 9.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -47.76 144.03 5.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 173.26 14.81 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.44 ' CB ' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -41.02 137.38 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -69.11 -46.84 66.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -73.16 -2.71 22.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.44 ' HB2' ' CB ' ' A' ' 40' ' ' LYS . 40.7 mt -113.61 42.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -122.78 95.99 4.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -84.09 51.0 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.76 153.56 11.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 p -41.73 160.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 0.766 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.491 HG21 ' CZ ' ' A' ' 51' ' ' TYR . 2.8 mm -104.08 150.78 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.67 -25.16 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.442 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 173.07 178.02 42.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 1.028 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.5 m-85 -135.18 132.66 38.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.636 ' C ' HD12 ' A' ' 53' ' ' ILE . 12.2 mm-40 -80.26 157.12 26.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.636 HD12 ' C ' ' A' ' 52' ' ' GLN . 4.3 mp -134.31 105.16 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.434 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -103.73 134.51 11.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.502 ' HB2' HG22 ' A' ' 93' ' ' VAL . 19.1 p90 -153.15 145.19 23.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.632 ' CD ' ' CE1' ' A' ' 66' ' ' TYR . 0.5 OUTLIER -156.4 151.07 25.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 5.1 tt0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.632 ' CE1' ' CD ' ' A' ' 56' ' ' ARG . 8.9 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.495 0.188 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.1 m -71.99 108.15 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.54 ' CG2' ' CD ' ' A' ' 52' ' ' GLN . 28.0 mm -91.83 139.13 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.573 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -135.36 114.03 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 71' ' ' MET . 2.2 tm-20 -79.92 146.32 32.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 2.8 ppp? -150.36 -176.57 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.538 ' HD2' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -114.52 154.98 27.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.05 105.86 17.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.538 HG22 ' HD2' ' A' ' 72' ' ' LYS . 9.6 p -80.95 2.25 27.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.38 -166.13 36.39 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -44.96 92.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.0 p -94.18 134.73 36.33 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.421 ' HB2' ' NE1' ' A' ' 36' ' ' TRP . 71.7 mm-40 -132.08 153.57 50.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.472 HG23 ' CG2' ' A' ' 35' ' ' THR . 14.5 p -146.67 148.63 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -145.98 122.69 11.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 m -88.95 98.44 11.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.419 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.552 HD21 ' CG2' ' A' ' 53' ' ' ILE . 18.6 mt -74.22 106.63 5.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -99.08 171.09 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.443 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.8 OUTLIER 75.86 59.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 84' ' ' ASN . 12.0 mt -122.95 -179.37 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.88 167.75 11.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 88' ' ' PHE . 4.3 mttp -82.64 134.73 35.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.651 ' CD1' HG22 ' A' ' 113' ' ' THR . 7.1 t80 32.75 65.82 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.44 143.52 48.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -73.92 113.16 10.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 9.6 m-85 -120.43 123.94 44.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.58 131.19 10.61 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.948 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.556 ' HB ' HD21 ' A' ' 24' ' ' LEU . 42.3 t -122.81 154.04 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.1 m -143.74 118.76 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.889 HG11 ' CD2' ' A' ' 36' ' ' TRP . 7.5 t -99.87 148.03 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' GLN . 1.6 pt20 -153.58 143.56 22.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 1.028 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.09 128.99 37.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.813 ' HB3' HG23 ' A' ' 103' ' ' THR . 7.3 p90 -125.32 136.37 53.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.458 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 16.6 p30 -124.31 177.44 5.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -57.9 -23.38 52.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.458 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . . . -73.73 -22.45 59.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.09 -157.61 27.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.155 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.813 HG23 ' HB3' ' A' ' 98' ' ' PHE . 9.8 m -114.37 144.22 43.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 110.417 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.88 177.53 49.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 155.93 42.7 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 p -73.31 153.32 40.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 p -82.93 173.91 11.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.25 114.52 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -48.89 133.57 17.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.238 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.538 HD11 HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -126.07 -174.41 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -152.36 161.53 42.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.462 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -171.54 97.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.651 HG22 ' CD1' ' A' ' 88' ' ' PHE . 31.9 m -65.1 114.48 4.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.401 HG23 HD11 ' A' ' 32' ' ' ILE . 7.3 p -48.68 177.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 43.8 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 138.01 22.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -109.68 49.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' A' ' 18' ' ' PRO . . . 171.41 143.39 4.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 111.047 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -74.97 174.19 13.2 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.75 21.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -110.34 162.78 14.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 59.5 46.31 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.66 HG11 ' OG ' ' A' ' 107' ' ' SER . 9.8 t -86.18 105.7 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.412 ' C ' HD13 ' A' ' 24' ' ' LEU . 4.7 t -149.9 152.03 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.979 HD12 HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -107.62 154.49 21.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.28 115.46 3.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 110.94 3.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.644 HG23 HG23 ' A' ' 28' ' ' THR . 2.8 m -95.48 -33.39 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.644 HG23 HG23 ' A' ' 27' ' ' VAL . 44.0 p -120.69 -150.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.435 ' CB ' ' HD3' ' A' ' 87' ' ' LYS . 1.7 m -114.08 -13.94 12.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.038 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -135.66 35.2 2.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -162.25 163.87 27.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.955 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.436 HG21 ' HB3' ' A' ' 24' ' ' LEU . 50.2 mt -148.85 139.71 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -92.8 113.04 25.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.979 HG22 HD12 ' A' ' 24' ' ' LEU . 92.1 t -102.39 109.93 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.551 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.4 p -112.33 141.31 46.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.524 ' CD2' HG11 ' A' ' 95' ' ' VAL . 29.8 p90 -155.61 164.64 38.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 107.987 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -122.42 167.3 13.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.17 145.48 2.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -74.99 -175.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.779 ' HB2' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -39.26 139.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.4 ' HA ' ' NE2' ' A' ' 44' ' ' GLN . 7.3 tptt -65.83 -51.92 54.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -88.46 46.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 40' ' ' LYS . 15.9 mt -147.05 -44.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 43' ' ' LEU . 4.1 mt-30 -33.06 -45.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 60.14 56.75 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.49 -177.09 23.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.516 HG22 ' H ' ' A' ' 48' ' ' ILE . 9.1 p -67.76 171.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.902 HG21 ' CE1' ' A' ' 51' ' ' TYR . 6.7 mm -121.33 130.26 74.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -36.12 33.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.436 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 176.7 174.31 43.05 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.965 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 6.0 m-85 -128.64 145.14 51.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -95.07 132.89 39.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.856 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.0 mp -112.89 96.36 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.487 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -90.5 127.88 9.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.641 ' HB2' HG12 ' A' ' 93' ' ' VAL . 41.0 p90 -144.63 145.89 32.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -156.07 152.8 28.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 91' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 12.8 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.468 0.175 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.9 m -63.84 107.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.487 HD13 ' CA ' ' A' ' 54' ' ' GLY . 31.2 mm -85.66 151.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.675 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -143.19 116.86 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 71' ' ' MET . 4.4 tt0 -80.71 139.78 35.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.425 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -147.19 178.81 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.667 ' NZ ' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -121.07 147.53 45.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.02 118.51 20.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.667 HG22 ' NZ ' ' A' ' 72' ' ' LYS . 6.5 p -99.04 24.57 7.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.401 ' O ' ' OE2' ' A' ' 78' ' ' GLU . . . 141.22 -150.54 21.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.76 -45.96 23.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.6 p -97.6 144.03 27.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 75' ' ' GLY . 23.7 mm-40 -136.06 158.86 43.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.551 HG23 ' CG2' ' A' ' 35' ' ' THR . 12.3 p -150.49 149.02 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.15 120.19 9.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.5 m -88.29 94.36 9.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.856 HD11 ' CG2' ' A' ' 53' ' ' ILE . 32.8 mt -70.34 106.96 3.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.6 -175.46 3.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.476 ' O ' HD23 ' A' ' 85' ' ' LEU . 44.8 m-20 61.35 61.5 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 84' ' ' ASN . 17.7 mt -122.23 -177.68 3.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.54 162.44 13.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.435 ' HD3' ' CB ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -83.29 130.61 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.1 t80 38.05 72.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.41 144.4 29.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -74.84 128.48 35.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 57' ' ' GLU . 5.7 m-85 -128.75 135.55 49.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.11 113.14 2.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.641 HG12 ' HB2' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -115.96 159.99 15.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.409 ' CG1' ' HB2' ' A' ' 109' ' ' GLU . 1.4 m -135.47 129.15 49.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.524 HG11 ' CD2' ' A' ' 36' ' ' TRP . 6.9 t -101.74 148.05 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -153.11 145.86 24.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.965 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.65 121.36 33.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -117.48 134.28 55.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.56 178.38 5.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -67.69 -24.24 65.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.91 -25.79 59.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.87 -174.13 30.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.427 HG23 ' CB ' ' A' ' 98' ' ' PHE . 7.2 m -108.05 147.86 30.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 110.373 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -98.5 -169.84 31.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.514 1.133 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.21 29.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.3 p -96.62 168.51 10.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.66 ' OG ' HG11 ' A' ' 22' ' ' VAL . 51.9 p -97.7 162.98 13.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.931 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.89 119.23 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.409 ' HB2' ' CG1' ' A' ' 94' ' ' VAL . 4.6 tt0 -65.97 112.68 3.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.718 HD13 HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -89.94 -163.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.445 ' H ' HG22 ' A' ' 110' ' ' ILE . 11.4 p-10 -152.71 136.83 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.518 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -146.38 100.94 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.7 m -69.77 121.66 17.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 18.4 p -52.59 -174.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.946 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.0 135.73 19.45 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -108.88 60.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.59 142.17 3.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 172.96 15.33 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.486 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 18.4 Cg_endo -75.03 158.12 42.27 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 43.9 mtp -98.97 178.4 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t70 50.65 28.24 3.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.851 HG11 ' OG ' ' A' ' 107' ' ' SER . 41.4 t -72.13 111.15 5.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -153.83 151.97 30.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.009 ' CD2' HG22 ' A' ' 34' ' ' VAL . 50.1 mt -106.6 163.98 12.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -166.64 118.11 0.77 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.23 2.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -91.52 -33.75 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.431 ' OG1' ' CB ' ' A' ' 31' ' ' SER . 1.2 p -124.52 -168.32 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.9 p -100.16 1.81 42.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -147.07 26.31 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.0 OUTLIER -154.26 168.94 24.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.96 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 81' ' ' THR . 55.8 mt -152.39 136.82 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -89.71 132.56 35.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.148 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.009 HG22 ' CD2' ' A' ' 24' ' ' LEU . 95.5 t -124.16 104.69 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.537 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.2 p -109.98 140.51 43.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.75 ' CD2' HG11 ' A' ' 95' ' ' VAL . 33.5 p90 -150.89 164.93 35.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 107.995 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -117.17 162.77 17.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.14 136.3 8.63 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 98.39 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.528 ' HB2' HD12 ' A' ' 43' ' ' LEU . 6.0 mptp? 48.54 -169.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -117.01 -47.18 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -85.05 10.83 10.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.528 HD12 ' HB2' ' A' ' 40' ' ' LYS . 20.0 mt -104.2 -36.0 7.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -38.3 -35.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 1.1 m-20 64.02 22.21 12.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.565 ' O ' ' CG1' ' A' ' 47' ' ' VAL . . . 112.98 68.02 0.51 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.554 1.158 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.59 HG22 ' N ' ' A' ' 48' ' ' ILE . 8.5 p 48.43 172.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.59 ' N ' HG22 ' A' ' 47' ' ' VAL . 4.8 mm -123.03 140.36 46.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.8 -37.65 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.444 ' HA3' ' CZ ' ' A' ' 98' ' ' PHE . . . -172.59 174.56 45.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE1' ' OE2' ' A' ' 78' ' ' GLU . 6.7 m-85 -126.19 173.15 9.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.508 ' C ' HD12 ' A' ' 53' ' ' ILE . 13.5 mt-30 -134.13 132.33 39.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.839 HG21 HD21 ' A' ' 82' ' ' LEU . 3.5 mp -114.72 109.82 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.423 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -105.31 116.04 5.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.769 ' CB ' HG22 ' A' ' 93' ' ' VAL . 21.7 p90 -135.73 146.99 48.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.6 143.68 18.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 1.1 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 13.6 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.532 0.205 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 m -69.47 111.32 5.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.973 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.423 HD13 ' CA ' ' A' ' 54' ' ' GLY . 36.9 mm -90.13 139.77 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -127.77 119.56 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.53 135.39 36.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.409 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 1.7 ppp? -144.37 -179.26 6.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -118.94 149.27 41.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.46 105.92 6.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.8 p -60.54 -38.02 83.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.05 -130.47 1.54 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.51 -28.28 56.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.7 p -125.29 145.91 49.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.585 ' OE2' ' CE1' ' A' ' 51' ' ' TYR . 8.4 mp0 -135.69 158.31 44.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.537 HG23 ' CG2' ' A' ' 35' ' ' THR . 14.9 p -150.08 147.79 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.557 ' CE1' HD13 ' A' ' 82' ' ' LEU . 3.0 t80 -145.41 127.51 15.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 15.9 m -103.22 102.91 12.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.839 HD21 HG21 ' A' ' 53' ' ' ILE . 2.6 mm? -73.31 107.17 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -89.86 179.12 6.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.422 ' O ' HD23 ' A' ' 85' ' ' LEU . 82.8 m-20 60.81 61.39 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 84' ' ' ASN . 56.6 mt -122.79 174.14 7.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.19 -175.95 6.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -114.22 130.75 56.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.6 t80 48.05 55.53 8.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.51 145.28 50.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -74.28 118.38 17.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.515 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 1.5 m-85 -125.55 129.52 49.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.47 135.65 12.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.769 HG22 ' CB ' ' A' ' 55' ' ' TYR . 21.6 t -133.07 152.78 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 0.791 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.1 m -137.73 119.8 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.75 HG11 ' CD2' ' A' ' 36' ' ' TRP . 17.4 t -92.56 145.68 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -152.95 140.64 19.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 48' ' ' ILE . . . -91.39 132.18 36.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -124.62 137.82 54.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -123.42 178.33 5.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -64.02 -26.69 68.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.72 -25.94 61.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.9 -171.57 29.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 34.6 m -105.06 148.09 27.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -101.23 -171.71 28.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 157.76 42.7 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 m -99.22 165.81 11.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.851 ' OG ' HG11 ' A' ' 22' ' ' VAL . 80.0 p -80.29 166.82 20.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.8 p -50.58 155.88 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -79.68 117.69 20.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.655 HD11 HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -109.38 -172.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 91' ' ' TYR . 18.4 m-80 -152.62 165.21 35.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.613 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -164.38 69.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.0 m -39.31 113.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.8 p -48.26 176.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 33.3 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 150.97 38.68 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -122.52 42.5 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.62 135.72 2.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.28 18.63 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 164.11 33.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.4 mmm -107.28 172.31 6.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t70 54.78 36.24 25.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.719 HG12 HD11 ' A' ' 110' ' ' ILE . 48.9 t -80.58 111.88 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 t -151.98 158.51 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.96 ' CD2' HG22 ' A' ' 34' ' ' VAL . 48.0 mt -108.59 165.47 11.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.18 118.29 0.73 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.276 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HB2' ' CD2' ' A' ' 115' ' ' LEU . 18.2 Cg_endo -75.0 115.63 4.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 m -100.77 -31.5 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.526 ' HG1' ' CB ' ' A' ' 31' ' ' SER . 74.7 p -125.93 -163.79 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 m -95.49 -23.0 17.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -133.87 39.89 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.526 ' CB ' ' HG1' ' A' ' 28' ' ' THR . 0.5 OUTLIER -164.65 137.79 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.589 HD11 HG22 ' A' ' 114' ' ' THR . 87.8 mt -124.68 146.55 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -98.77 134.61 41.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.96 HG22 ' CD2' ' A' ' 24' ' ' LEU . 72.3 t -124.18 113.52 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.547 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.1 p -114.96 141.36 48.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.808 ' CD2' HG11 ' A' ' 95' ' ' VAL . 17.7 p90 -152.14 158.73 43.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 107.993 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . 19.7 mtpt -114.32 158.65 21.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 76' ' ' ASP . . . -39.91 141.62 0.76 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 171.71 17.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -38.0 132.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -60.68 -54.34 46.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -62.13 -21.11 64.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -110.67 51.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -106.34 -53.08 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 2.1 m120 70.41 59.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.591 1.182 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.47 161.49 9.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 48' ' ' ILE . 53.6 t -42.96 161.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.777 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.4 mm -106.44 132.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -82.74 -27.9 30.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.433 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 173.63 -173.58 45.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.903 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 28.6 m-85 -141.69 162.29 35.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.562 ' C ' HD12 ' A' ' 53' ' ' ILE . 45.6 mt-30 -112.34 149.96 31.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.887 HG21 HD21 ' A' ' 82' ' ' LEU . 4.6 mp -130.82 95.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.46 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -89.41 115.0 4.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.493 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 24.0 p90 -129.92 142.51 50.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.645 ' NE ' ' CE1' ' A' ' 66' ' ' TYR . 8.1 ptt180 -157.01 148.78 22.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.492 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 7.2 tt0 . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.645 ' CE1' ' NE ' ' A' ' 56' ' ' ARG . 24.7 m-85 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.543 0.211 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.5 m -71.43 106.38 3.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.978 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.46 HD13 ' CA ' ' A' ' 54' ' ' GLY . 20.4 mm -82.99 144.63 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -143.56 112.59 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -84.19 138.38 33.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -141.74 -177.82 5.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.415 ' O ' ' SD ' ' A' ' 71' ' ' MET . 4.4 mttm -95.87 154.78 17.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.078 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.25 97.27 11.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 74.2 p -47.93 -37.61 14.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.38 -132.99 2.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.9 m-20 -66.08 -37.54 86.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.5 p -120.22 145.16 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.598 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 1.3 mp0 -131.79 156.56 45.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.547 HG23 ' CG2' ' A' ' 35' ' ' THR . 12.8 p -146.0 146.35 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.522 ' CE1' HD13 ' A' ' 82' ' ' LEU . 6.3 t80 -146.53 138.15 24.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 15.5 m -108.0 106.44 16.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.887 HD21 HG21 ' A' ' 53' ' ' ILE . 2.9 mm? -78.74 106.17 10.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.04 -176.22 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.088 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 61.58 46.28 7.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.513 HD11 ' O ' ' A' ' 82' ' ' LEU . 38.6 mt -108.14 166.98 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 1.8 tttt -77.96 -170.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -121.22 138.13 54.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.5 t80 45.61 36.6 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . . . -122.17 143.91 49.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.45 ' NE2' ' OD1' ' A' ' 111' ' ' ASN . 43.8 tt0 -74.62 133.43 42.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.492 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 5.8 m-85 -133.08 128.37 36.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.81 124.55 7.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.493 ' HB ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -132.68 161.2 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 21.8 m -131.23 173.33 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.808 HG11 ' CD2' ' A' ' 36' ' ' TRP . 19.3 t -144.25 140.39 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -146.81 149.66 33.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.903 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.0 129.66 36.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.609 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -125.25 132.23 52.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -124.41 177.01 6.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -23.14 56.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.0 -24.37 59.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.78 -155.21 26.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.451 HG23 ' CB ' ' A' ' 98' ' ' PHE . 6.6 m -119.74 152.76 36.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -100.35 -172.55 29.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 160.01 40.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.4 p -76.02 169.5 18.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.57 ' OG ' HG11 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -102.37 159.66 15.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.86 117.58 1.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.67 145.19 40.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.719 HD11 HG12 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -134.78 -174.0 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.45 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 23.9 m-80 -153.33 146.9 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.612 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -151.77 87.65 1.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.7 m -58.94 105.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.589 HG22 HD11 ' A' ' 32' ' ' ILE . 80.9 p -41.18 155.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.491 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 131.7 14.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -103.5 56.25 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.39 138.28 2.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.85 15.54 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HG3' HG12 ' A' ' 95' ' ' VAL . 18.3 Cg_endo -74.93 160.26 40.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.4 mtp -106.26 178.67 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 t0 51.84 31.19 7.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.504 HG12 HD11 ' A' ' 110' ' ' ILE . 44.1 t -75.08 107.0 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 t -139.8 154.79 47.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 HG22 ' A' ' 34' ' ' VAL . 7.6 mt -117.16 158.92 23.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -164.4 121.92 1.16 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 118.94 5.44 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.626 HG23 HG23 ' A' ' 28' ' ' THR . 5.0 m -105.61 -40.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.626 HG23 HG23 ' A' ' 27' ' ' VAL . 54.0 p -119.55 178.9 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.375 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -82.2 -22.63 35.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -129.29 48.6 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.501 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.2 OUTLIER -177.51 170.01 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' THR . 50.5 mt -152.39 159.75 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -104.3 124.96 50.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.811 ' O ' HG23 ' A' ' 79' ' ' VAL . 41.8 t -117.56 118.71 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.73 140.36 52.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.533 ' CH2' HD11 ' A' ' 53' ' ' ILE . 30.8 p90 -154.23 161.98 41.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.019 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -116.93 172.88 6.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -52.58 137.2 42.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.01 98.79 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.4 -168.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -118.99 -47.55 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -76.17 -12.1 60.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.14 -20.52 18.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -51.3 -26.97 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 41.37 42.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.95 174.52 24.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.9 m -54.71 176.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.732 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.554 HG21 ' CE1' ' A' ' 51' ' ' TYR . 6.4 mm -125.6 145.46 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.29 -25.76 14.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.442 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 168.07 -178.12 41.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 1.056 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 10.3 m-85 -136.21 153.57 51.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.425 ' C ' HD12 ' A' ' 53' ' ' ILE . 45.8 mt-30 -105.09 135.48 46.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.906 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.3 mp -119.31 111.47 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.419 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -104.79 127.96 9.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 39.1 p90 -135.81 139.06 43.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 0.771 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -154.49 138.77 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 19.6 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.507 0.194 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.574 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 75.4 m -76.21 105.62 7.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 68' ' ' ILE . 32.0 mm -85.48 147.68 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -137.61 117.65 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -79.94 137.72 36.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 3.5 ppp? -139.33 177.83 7.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.45 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -121.8 147.25 46.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.27 142.49 31.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 p -129.29 12.5 6.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 110.349 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.81 -139.95 6.13 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -97.22 -38.28 9.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.268 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.404 ' O ' ' OE2' ' A' ' 78' ' ' GLU . 22.4 p -106.04 130.6 53.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.41 ' HB3' ' CE ' ' A' ' 71' ' ' MET . 32.3 mm-40 -126.37 160.89 29.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 34' ' ' VAL . 8.2 p -147.52 147.73 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.55 ' CD1' HD12 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -142.04 123.86 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 4.0 m -90.11 96.29 10.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.906 HD21 ' CG2' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -69.91 106.16 3.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.63 -179.37 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.655 ' O ' HD23 ' A' ' 85' ' ' LEU . 9.0 m-20 63.85 67.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 84' ' ' ASN . 19.6 mt -128.2 -171.17 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.88 161.99 14.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' PHE . 7.4 mttt -79.06 135.0 36.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 115' ' ' LEU . 15.1 t80 36.71 63.35 0.67 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.4 ' N ' ' OG1' ' A' ' 114' ' ' THR . . . -136.62 135.21 38.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.478 ' CG ' ' HB3' ' A' ' 111' ' ' ASN . 4.3 tt0 -74.19 130.27 39.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 5.1 m-85 -131.6 123.11 27.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.03 104.54 3.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 54' ' ' GLY . 0.2 OUTLIER -111.5 157.11 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.729 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.4 m -122.01 178.91 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.548 HG12 ' HG3' ' A' ' 19' ' ' PRO . 21.4 t -147.1 135.57 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -148.18 140.85 24.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 1.056 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.19 118.86 30.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 5.5 p90 -107.23 129.87 54.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 99' ' ' ASN . 0.5 OUTLIER -124.47 164.22 20.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -24.95 38.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.37 -19.81 60.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.26 -166.87 29.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.401 HG23 ' CB ' ' A' ' 98' ' ' PHE . 4.8 m -114.46 142.69 46.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 0.796 . . . . 0.0 110.399 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -94.36 175.56 34.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.77 42.26 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.67 167.97 15.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.1 170.66 9.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.29 115.13 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.9 129.91 44.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.704 HG22 ' H ' ' A' ' 111' ' ' ASN . 0.3 OUTLIER -104.41 -162.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.704 ' H ' HG22 ' A' ' 110' ' ' ILE . 84.3 m-20 -152.74 139.77 19.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -156.11 97.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 114' ' ' THR . 23.9 m -67.57 123.35 20.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.435 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 113' ' ' THR . 4.7 p -49.99 -177.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 88' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 149.54 36.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.685 ' O ' HD22 ' A' ' 43' ' ' LEU . 8.7 m-20 -123.07 57.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.479 ' HA3' HD13 ' A' ' 43' ' ' LEU . . . 163.22 135.93 1.9 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 174.39 12.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.58 24.51 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -108.53 159.56 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.9 t0 61.0 47.73 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.487 HG12 HD11 ' A' ' 110' ' ' ILE . 6.2 t -86.16 105.82 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -149.36 153.06 36.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.87 HD12 HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.4 158.97 16.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.83 115.69 3.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.447 ' HB2' ' CD1' ' A' ' 115' ' ' LEU . 18.2 Cg_endo -75.01 109.67 2.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.802 HG23 HG23 ' A' ' 28' ' ' THR . 2.9 m -102.79 -38.31 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.802 HG23 HG23 ' A' ' 27' ' ' VAL . 13.3 p -111.29 -170.93 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -89.01 -36.67 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -123.37 45.41 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.497 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.7 OUTLIER -167.44 151.56 6.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.406 HG21 ' HB3' ' A' ' 24' ' ' LEU . 79.3 mt -135.64 145.08 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.446 HE21 HG21 ' A' ' 79' ' ' VAL . 21.0 tt0 -96.96 122.56 40.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.87 HG22 HD12 ' A' ' 24' ' ' LEU . 42.5 t -108.76 122.88 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.09 135.48 51.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.388 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.533 ' CE3' HG11 ' A' ' 95' ' ' VAL . 14.5 p90 -149.22 170.16 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 108.03 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -124.91 158.91 32.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -39.94 143.71 0.58 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.02 -179.23 4.79 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.771 ' HB2' HD12 ' A' ' 43' ' ' LEU . 2.4 mptp? -38.5 145.67 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.401 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 36.2 tptt -68.35 -57.27 6.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -84.09 48.15 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.771 HD12 ' HB2' ' A' ' 40' ' ' LYS . 15.0 mt -147.58 -45.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' LEU . 4.0 mt-30 -33.08 -41.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 58.91 57.03 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.68 -177.01 29.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 48' ' ' ILE . 9.6 p -67.42 161.08 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.908 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.6 mm -110.61 127.45 67.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -79.99 -32.34 39.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.607 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 177.16 179.76 47.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.908 ' CE1' HG21 ' A' ' 48' ' ' ILE . 18.2 m-85 -135.21 147.04 49.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.664 ' C ' HD12 ' A' ' 53' ' ' ILE . 37.6 mt-30 -98.22 151.54 20.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.861 HG21 HD11 ' A' ' 82' ' ' LEU . 4.3 mp -131.79 102.56 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.418 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -96.31 109.38 3.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.559 ' HB2' HG12 ' A' ' 93' ' ' VAL . 23.2 p90 -124.51 141.88 51.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.58 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.7 152.91 27.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.58 ' CD1' ' HG2' ' A' ' 56' ' ' ARG . 11.6 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.46 0.171 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.405 ' CB ' ' CE1' ' A' ' 55' ' ' TYR . 36.4 m -64.62 105.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.418 HD13 ' CA ' ' A' ' 54' ' ' GLY . 42.5 mm -84.99 147.62 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.629 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -149.07 112.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.32 146.9 31.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.479 ' HB3' ' CE1' ' A' ' 80' ' ' TYR . 8.0 ptm -157.58 149.88 22.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 152.25 32.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.42 115.15 26.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.9 p -58.98 -41.66 88.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.345 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.46 -132.32 2.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.35 -41.84 94.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.8 p -112.52 148.84 33.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 14.5 mp0 -137.73 150.89 47.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 34' ' ' VAL . 7.2 p -149.26 146.91 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.479 ' CE1' ' HB3' ' A' ' 71' ' ' MET . 27.7 t80 -140.09 128.0 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m -82.67 104.16 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.861 HD11 HG21 ' A' ' 53' ' ' ILE . 64.2 mt -86.01 106.47 17.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.72 -177.64 3.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.41 ' O ' HD23 ' A' ' 85' ' ' LEU . 9.6 m-80 62.4 62.7 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 84' ' ' ASN . 44.9 mt -121.23 -172.23 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.4 161.18 13.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -91.03 129.94 36.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.2 t80 46.0 66.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.54 143.78 25.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -74.51 141.76 44.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -141.71 133.71 27.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.33 107.26 1.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.559 HG12 ' HB2' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -109.7 161.63 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 107' ' ' SER . 1.2 m -132.1 139.84 49.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.533 HG11 ' CE3' ' A' ' 36' ' ' TRP . 10.1 t -113.2 146.59 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -153.15 149.43 28.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.893 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.28 128.5 37.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.609 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 1.1 p90 -124.19 131.58 53.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.435 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 22.5 p30 -124.55 178.36 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -66.12 -12.85 58.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.435 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . . . -82.96 -23.96 33.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.57 -153.29 24.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.105 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 m -125.25 143.18 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -89.31 -173.26 46.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 162.5 37.01 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 83.9 p -86.56 150.31 24.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.44 ' O ' HG12 ' A' ' 94' ' ' VAL . 83.2 p -84.54 168.52 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.66 119.3 6.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -66.02 112.52 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.734 HD13 HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -89.1 -163.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.46 ' H ' HG22 ' A' ' 110' ' ' ILE . 7.5 p-10 -152.48 135.36 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.54 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.24 91.93 1.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.8 m -61.85 132.24 52.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.69 167.55 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.53 35.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -120.96 56.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.15 137.31 2.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 168.34 25.06 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.7 mtp -111.67 171.49 7.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.0 t0 52.24 45.31 28.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.602 HG11 ' OG ' ' A' ' 107' ' ' SER . 8.6 t -85.63 106.13 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.402 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.5 t -146.05 150.61 36.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.782 HD21 HD13 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -104.69 166.33 10.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -167.28 115.91 0.68 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 109.73 2.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.505 1.792 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.736 HG23 HG23 ' A' ' 28' ' ' THR . 3.4 m -93.41 -33.85 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.736 HG23 HG23 ' A' ' 27' ' ' VAL . 42.2 p -116.8 -148.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 p -108.01 -32.32 7.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.031 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -124.82 45.42 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.446 ' O ' ' CG1' ' A' ' 32' ' ' ILE . 1.1 p -163.49 170.03 17.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.594 HD11 HG22 ' A' ' 114' ' ' THR . 28.0 mt -154.75 138.96 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -92.2 110.47 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.743 HG22 HD12 ' A' ' 24' ' ' LEU . 39.9 t -99.1 109.6 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.454 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.1 p -112.11 136.17 51.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.622 ' CD2' HG11 ' A' ' 95' ' ' VAL . 38.1 p90 -148.42 161.56 41.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 107.994 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . 18.3 mttt -118.27 155.42 30.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 76' ' ' ASP . . . -39.49 144.73 0.46 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.89 171.59 17.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -39.19 131.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.08 -42.31 99.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.23 -3.55 27.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 mt -117.5 31.88 6.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -117.71 93.85 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -75.18 60.46 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.92 175.91 32.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.523 HG22 ' N ' ' A' ' 48' ' ' ILE . 10.4 p -52.63 168.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.795 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.1 mm -116.53 132.6 65.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 49' ' ' ARG . 4.9 mmm180 -83.07 -33.03 26.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 173.24 176.68 41.94 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.977 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.5 m-85 -131.36 136.81 48.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.741 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.489 ' C ' HD12 ' A' ' 53' ' ' ILE . 58.3 mt-30 -84.61 142.43 29.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 1.048 ' CG2' HD21 ' A' ' 82' ' ' LEU . 3.9 mp -120.85 96.08 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -91.62 118.76 5.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.534 ' CD2' ' HG ' ' A' ' 82' ' ' LEU . 48.2 p90 -134.94 139.82 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.766 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.577 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -156.34 157.35 35.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.494 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 3.1 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 9.1 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.54 0.209 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.2 m -62.42 107.32 0.9 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.462 HD13 ' CA ' ' A' ' 54' ' ' GLY . 35.7 mm -88.74 147.22 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.579 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -140.41 119.73 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.69 137.53 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 78' ' ' GLU . 1.3 ppp? -144.71 -178.45 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.523 ' HE3' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -122.79 150.32 42.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.97 125.57 29.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.523 HG22 ' HE3' ' A' ' 72' ' ' LYS . 43.7 p -108.7 31.18 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.01 -156.66 22.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.147 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -73.33 -30.04 63.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 0.746 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 p -118.36 151.4 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.413 1.071 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.462 ' HB3' ' CE ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -137.8 163.4 31.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.454 HG23 ' CG2' ' A' ' 35' ' ' THR . 13.8 p -151.72 148.89 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.58 ' CD1' HD12 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -146.0 130.68 17.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.8 m -96.32 92.87 6.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.42 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.048 HD21 ' CG2' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -70.44 106.76 3.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -95.13 -172.12 2.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 61.54 55.68 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.456 HD12 HG13 ' A' ' 32' ' ' ILE . 26.6 mt -116.58 179.39 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.23 150.26 21.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -82.22 122.14 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 5.1 t80 62.52 63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.81 139.77 20.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -75.78 138.07 40.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.494 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 15.1 m-85 -138.49 132.29 31.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.42 108.18 1.85 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.468 HG12 ' HB2' ' A' ' 55' ' ' TYR . 1.0 OUTLIER -103.66 164.19 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 m -138.86 122.02 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.622 HG11 ' CD2' ' A' ' 36' ' ' TRP . 20.0 t -95.06 146.76 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -150.68 146.1 26.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.977 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.2 121.69 33.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -119.87 132.44 55.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -124.29 178.32 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -63.4 -19.01 64.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.72 -24.47 49.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.4 -158.98 27.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.456 HG23 ' CB ' ' A' ' 98' ' ' PHE . 2.2 m -118.26 145.75 44.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -100.9 -168.0 28.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.01 39.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.788 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.63 163.87 13.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.602 ' OG ' HG11 ' A' ' 22' ' ' VAL . 99.3 p -86.13 164.71 17.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.26 123.73 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -65.2 130.68 44.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.782 HD13 HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -114.33 -163.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -153.51 142.11 20.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.606 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -150.86 92.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 47.3 m -60.25 114.75 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.594 HG22 HD11 ' A' ' 32' ' ' ILE . 39.8 p -54.5 156.99 3.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.429 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.7 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 -179.94 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 18.4 Cg_endo -74.98 139.17 24.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.784 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -109.66 45.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.403 ' HA2' ' HD3' ' A' ' 18' ' ' PRO . . . 178.78 142.32 4.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.98 174.29 13.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 168.32 25.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.3 mtp -107.55 162.92 13.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 56.09 50.63 13.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 t -88.63 106.17 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -146.25 151.45 37.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.88 HD12 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -103.9 164.72 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -160.91 115.48 1.34 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.81 2.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.438 1.757 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.83 HG23 HG23 ' A' ' 28' ' ' THR . 6.4 m -88.12 -35.79 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.83 HG23 HG23 ' A' ' 27' ' ' VAL . 30.1 p -120.6 -148.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.46 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.41 -23.22 10.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -126.57 40.44 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.346 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -164.97 168.39 17.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.2 mt -153.33 137.48 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.48 HE21 HG21 ' A' ' 79' ' ' VAL . 56.6 tt0 -93.32 129.17 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.88 HG22 HD12 ' A' ' 24' ' ' LEU . 43.2 t -116.36 113.81 44.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -113.77 134.35 54.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.392 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.615 ' CD2' HG11 ' A' ' 95' ' ' VAL . 28.3 p90 -146.78 176.95 9.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -135.14 162.13 33.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -43.96 140.36 2.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.98 171.64 17.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.5 1.79 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -39.84 157.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.87 -51.25 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -65.04 -11.16 36.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.275 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -106.09 -20.31 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.439 ' HG2' HD11 ' A' ' 48' ' ' ILE . 1.2 mt-30 -50.51 -47.11 57.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 59.88 42.62 16.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.43 -158.84 14.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.485 HG22 ' H ' ' A' ' 48' ' ' ILE . 9.0 p -90.58 169.75 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.715 HG21 ' CE1' ' A' ' 51' ' ' TYR . 5.1 mm -113.76 150.09 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -115.32 -34.28 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.57 ' HA3' ' CZ ' ' A' ' 98' ' ' PHE . . . -174.7 172.03 45.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 1.015 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 6.0 m-85 -131.42 151.78 51.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.421 ' NE2' HG21 ' A' ' 68' ' ' ILE . 41.8 mt-30 -105.14 134.58 48.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.822 HG21 HD21 ' A' ' 82' ' ' LEU . 4.5 mp -111.78 105.87 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.574 ' HA2' HD13 ' A' ' 68' ' ' ILE . . . -97.02 107.44 3.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.521 ' HB2' HG12 ' A' ' 93' ' ' VAL . 27.9 p90 -124.77 142.89 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.21 145.42 20.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 6.1 m-85 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.523 0.202 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.495 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 14.9 m -62.78 107.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.574 HD13 ' HA2' ' A' ' 54' ' ' GLY . 32.6 mm -89.63 148.58 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.706 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -144.27 112.94 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.35 136.42 35.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.1 ptm -153.02 152.42 31.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 149.61 26.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.36 137.26 34.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.1 p -91.62 28.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 125.01 -140.35 12.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -72.93 -22.6 60.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 0.752 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.408 ' C ' ' CD ' ' A' ' 78' ' ' GLU . 76.6 p -119.4 153.31 35.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 17.5 mp0 -147.04 156.44 43.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 34' ' ' VAL . 9.2 p -151.09 148.9 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.427 ' CD2' HD13 ' A' ' 82' ' ' LEU . 21.1 t80 -146.5 133.79 20.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 111.068 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -102.7 109.29 20.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.425 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.822 HD21 HG21 ' A' ' 53' ' ' ILE . 2.7 mm? -78.7 106.68 10.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.4 OUTLIER -93.83 160.15 14.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 5.1 m-20 81.02 55.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.5 mt -118.85 172.52 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.454 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 15.5 tttm -87.07 157.76 19.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -90.65 127.54 36.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.9 t80 57.71 44.36 20.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.053 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.454 ' HB2' ' HG2' ' A' ' 86' ' ' LYS . . . -125.72 142.78 51.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -74.95 133.58 41.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 18.7 m-85 -135.9 127.9 29.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.21 100.26 1.07 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.521 HG12 ' HB2' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -100.72 163.4 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.27 128.43 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.615 HG11 ' CD2' ' A' ' 36' ' ' TRP . 11.5 t -98.42 148.13 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -153.36 139.86 18.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 1.015 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.2 133.54 35.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.608 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 2.3 p90 -129.17 137.21 51.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 15' ' ' PRO . 10.5 p30 -124.2 178.31 5.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -64.33 -13.15 48.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.35 -18.52 31.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.46 -169.58 25.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.1 m -108.07 153.58 22.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -102.03 -175.84 27.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 157.3 42.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 p -82.29 160.22 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.46 176.77 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.82 118.31 6.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -65.04 120.35 12.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.76 HD13 HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -99.78 -163.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.409 ' H ' HG22 ' A' ' 110' ' ' ILE . 13.0 p-10 -151.77 138.06 18.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.525 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -152.05 100.0 2.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.1 m -68.61 127.93 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.439 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.68 164.81 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 115' ' ' LEU . 10.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 121.18 6.44 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -91.85 35.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.706 ' HA3' HD13 ' A' ' 43' ' ' LEU . . . -173.07 137.23 4.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -75.02 173.57 14.29 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.66 ' HG3' HG12 ' A' ' 95' ' ' VAL . 18.3 Cg_endo -75.03 150.58 38.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' LYS . 38.6 mtp -107.95 168.65 9.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.5 t0 56.14 27.21 11.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.767 HG23 HD13 ' A' ' 110' ' ' ILE . 1.2 m -85.47 118.26 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -153.57 146.79 24.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.05 HD12 HG22 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -89.19 164.98 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -160.35 116.88 1.46 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.43 ' HB2' ' CD2' ' A' ' 115' ' ' LEU . 18.4 Cg_endo -74.96 114.52 4.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.525 HG23 HG23 ' A' ' 28' ' ' THR . 1.5 m -107.44 -36.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.525 HG23 HG23 ' A' ' 27' ' ' VAL . 42.2 p -119.25 -164.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -91.04 -40.94 11.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.421 ' C ' ' HG ' ' A' ' 31' ' ' SER . 77.4 mt-30 -121.88 52.24 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.421 ' HG ' ' C ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -174.34 140.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.485 HG13 HD12 ' A' ' 85' ' ' LEU . 85.7 mt -133.4 149.03 30.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 58.8 tt0 -95.53 145.89 24.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.05 HG22 HD12 ' A' ' 24' ' ' LEU . 21.7 t -130.36 106.12 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.567 ' CG2' HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -114.56 132.86 56.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.375 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.596 ' CH2' HD11 ' A' ' 53' ' ' ILE . 48.1 p90 -142.94 177.27 8.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 107.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' MET . 7.3 mttt -128.78 164.9 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . . . -44.48 137.12 4.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.02 105.92 2.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.458 1.767 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.7 OUTLIER 47.65 -174.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -113.79 -52.41 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -90.68 36.37 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.706 HD13 ' HA3' ' A' ' 17' ' ' GLY . 13.6 mt -131.02 -41.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' A' ' 43' ' ' LEU . 5.5 mt-30 -32.46 -44.54 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 58.95 46.59 13.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.98 160.15 20.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.7 t -48.64 155.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.603 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.7 mm -104.49 134.64 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -85.35 -27.91 25.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.437 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 170.46 -178.08 43.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 1.022 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 9.2 m-85 -135.56 154.51 51.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -107.68 130.47 54.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.596 HD11 ' CH2' ' A' ' 36' ' ' TRP . 4.4 mp -113.51 101.34 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.5 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -97.65 107.57 3.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.481 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 53.6 p90 -121.32 144.98 48.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.96 145.94 20.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.531 ' HA ' ' CD1' ' A' ' 91' ' ' TYR . 1.6 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 7.8 m-85 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.497 0.189 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.1 m -66.7 106.69 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.956 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.5 HD13 ' CA ' ' A' ' 54' ' ' GLY . 35.5 mm -90.97 141.76 13.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.593 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -134.16 112.06 15.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -86.08 134.7 33.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.255 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 3.1 ppp? -141.77 -174.36 4.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.417 ' O ' ' SD ' ' A' ' 71' ' ' MET . 3.6 mttm -104.21 158.96 16.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.2 96.9 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.0 p -53.68 -50.72 65.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.82 -134.19 2.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.574 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 69.9 m-20 -76.63 -35.3 58.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.401 ' O ' ' OE2' ' A' ' 78' ' ' GLU . 59.8 p -113.7 154.05 27.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.535 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 28.1 mm-40 -139.64 169.12 18.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.567 HG23 ' CG2' ' A' ' 35' ' ' THR . 7.5 p -151.15 150.67 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.473 ' CD1' HD12 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -147.23 136.81 22.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.2 m -104.55 94.54 5.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.426 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.496 HD21 ' CG2' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -69.66 121.05 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -115.12 167.75 10.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER 79.07 45.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.485 HD12 HG13 ' A' ' 32' ' ' ILE . 22.7 mt -104.85 -170.78 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.93 -171.81 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -107.59 131.49 54.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.7 t80 39.08 65.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.72 139.77 31.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -74.28 134.06 42.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 12.0 m-85 -134.41 123.06 23.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.8 133.26 11.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 94' ' ' VAL . 0.2 OUTLIER -135.5 163.22 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.491 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 10.9 m -136.26 119.45 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.66 HG12 ' HG3' ' A' ' 19' ' ' PRO . 37.1 t -90.09 140.65 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -153.62 137.29 16.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 1.022 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.44 134.84 34.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.543 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 7.1 p90 -128.09 136.59 51.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -124.7 177.73 5.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -62.05 -23.42 66.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.76 -25.0 56.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 143.42 -176.2 23.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.2 m -98.81 157.02 16.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.759 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -111.87 -167.66 18.09 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.502 1.126 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.0 41.87 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.15 160.15 14.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.45 ' OG ' HG21 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -74.79 179.03 5.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -65.05 122.89 18.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 108' ' ' SER . 39.8 tt0 -37.85 104.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.838 HD12 ' CD2' ' A' ' 24' ' ' LEU . 9.0 pt -95.28 171.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 5.7 p-10 -154.63 174.92 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . 176.1 110.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 m -77.82 130.05 36.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.42 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.413 HG23 HD11 ' A' ' 32' ' ' ILE . 4.7 p -57.86 172.23 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.445 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 26' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.493 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.11 132.67 15.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -103.0 40.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.14 136.9 4.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.28 13.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.565 ' HG3' HG12 ' A' ' 95' ' ' VAL . 18.2 Cg_endo -75.03 164.85 32.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.9 mtp -119.52 166.42 13.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t0 52.28 29.98 7.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.842 HG23 HD13 ' A' ' 110' ' ' ILE . 1.1 m -84.85 119.8 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.1 t -151.27 164.41 36.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.839 ' CD2' HG22 ' A' ' 34' ' ' VAL . 87.6 mt -107.83 167.34 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -166.93 121.28 0.84 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HB2' ' CD2' ' A' ' 115' ' ' LEU . 18.3 Cg_endo -75.03 117.15 4.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.557 1.82 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.621 HG23 HG23 ' A' ' 28' ' ' THR . 2.1 m -102.49 -36.91 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.621 HG23 HG23 ' A' ' 27' ' ' VAL . 18.4 p -124.91 -151.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.6 m -112.7 -11.22 13.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -134.65 28.17 3.62 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -159.7 166.66 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.602 HG13 HD12 ' A' ' 85' ' ' LEU . 53.9 mt -152.79 142.07 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -89.52 145.21 25.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.839 HG22 ' CD2' ' A' ' 24' ' ' LEU . 21.5 t -134.22 113.51 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.63 134.96 54.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.469 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CH2' HD11 ' A' ' 53' ' ' ILE . 27.4 p90 -148.18 163.06 38.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 107.961 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.7 159.0 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 76' ' ' ASP . . . -44.97 145.83 1.53 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.98 167.66 26.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.772 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -37.24 149.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -76.88 -44.16 33.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.81 -1.82 23.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.0 mt -118.15 3.91 12.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -70.27 -39.55 74.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 50.81 37.06 16.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.57 -161.73 16.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.55 HG22 ' H ' ' A' ' 48' ' ' ILE . 6.2 p -89.96 171.94 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 0.756 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.55 ' H ' HG22 ' A' ' 47' ' ' VAL . 3.0 mm -117.38 133.97 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -96.16 -28.29 14.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.571 ' HA3' ' CZ ' ' A' ' 98' ' ' PHE . . . 179.33 173.53 44.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.953 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 5.8 m-85 -129.16 151.95 49.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.421 ' NE2' HG21 ' A' ' 68' ' ' ILE . 54.9 mt-30 -106.86 128.85 54.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.718 ' O ' HG22 ' A' ' 69' ' ' VAL . 4.9 mp -111.06 102.88 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.486 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -94.62 107.65 3.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.084 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.572 ' CE1' HD12 ' A' ' 82' ' ' LEU . 34.0 p90 -124.0 142.68 50.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 0.812 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 1.5 ptm180 -156.92 143.31 18.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 1.2 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD1' ' HG2' ' A' ' 56' ' ' ARG . 14.5 m-85 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.522 0.201 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.5 m -62.53 108.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.486 HD13 ' CA ' ' A' ' 54' ' ' GLY . 39.9 mm -86.08 144.41 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -139.18 113.11 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -84.1 130.01 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 80' ' ' TYR . 7.3 ptm -144.62 148.42 34.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -72.26 150.18 43.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.38 109.16 20.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 77' ' ' SER . 46.3 p -52.24 -26.86 12.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.91 -136.01 4.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.555 1.159 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.59 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 81.4 m-20 -61.57 -33.75 74.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.415 ' O ' ' OG1' ' A' ' 74' ' ' THR . 12.3 p -119.56 150.29 40.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.453 ' OE1' ' NE1' ' A' ' 36' ' ' TRP . 6.9 mp0 -141.46 161.95 36.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 34' ' ' VAL . 7.5 p -151.91 149.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.458 ' CD1' ' SD ' ' A' ' 71' ' ' MET . 13.1 t80 -146.61 149.1 32.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -118.17 107.16 13.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.412 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.731 HD11 HG21 ' A' ' 69' ' ' VAL . 2.7 mm? -77.38 106.16 8.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.3 OUTLIER -93.79 164.67 13.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 10.1 m-80 78.49 49.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.602 HD12 HG13 ' A' ' 32' ' ' ILE . 21.0 mt -112.86 162.98 15.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 176.9 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -100.75 133.59 44.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.415 ' N ' ' OG1' ' A' ' 114' ' ' THR . 6.1 t80 44.71 66.95 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.98 137.71 25.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -74.57 120.97 20.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 9.9 m-85 -119.81 123.31 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.12 126.03 8.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.534 ' CG1' ' CB ' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -129.2 164.11 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.6 122.36 52.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.565 HG12 ' HG3' ' A' ' 19' ' ' PRO . 39.6 t -89.37 146.16 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -152.88 136.63 16.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.953 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -93.53 131.8 38.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.571 ' CZ ' ' HA3' ' A' ' 50' ' ' GLY . 1.6 p90 -124.79 138.71 54.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.411 ' ND2' ' HD3' ' A' ' 15' ' ' PRO . 25.1 p30 -122.23 178.5 4.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -27.68 64.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.74 -21.79 61.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.84 -159.02 26.42 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.538 HG23 ' HB3' ' A' ' 98' ' ' PHE . 11.5 m -109.32 153.7 23.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.98 -162.81 21.16 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 164.9 32.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.3 157.93 16.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 108' ' ' SER . 2.4 p -85.85 167.07 15.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 107' ' ' SER . 0.9 OUTLIER -39.9 159.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -81.92 84.31 6.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.842 HD13 HG23 ' A' ' 22' ' ' VAL . 23.7 pt -68.79 169.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 8.1 m-80 -153.16 173.55 15.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.685 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . 178.49 97.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.2 m -67.64 126.99 31.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 88' ' ' PHE . 4.9 p -55.85 171.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.07 -57.82 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 110.036 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 t -115.32 136.74 52.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.62 -135.83 3.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -166.31 124.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 0.745 . . . . 0.0 109.99 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 p -144.83 116.87 8.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.014 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.69 66.54 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 8' ' ' ILE . 88.3 mt 41.24 67.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.783 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.3 p -177.16 100.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.97 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 10' ' ' THR . 1.0 OUTLIER -87.35 10.38 17.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -179.11 126.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -86.87 175.78 8.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . . . -144.87 143.97 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.73 151.23 15.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.45 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.1 Cg_endo -75.04 138.63 23.19 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.36 23.99 12.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -165.91 146.16 10.78 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.46 14.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.513 ' HG3' HG12 ' A' ' 95' ' ' VAL . 18.3 Cg_endo -75.02 161.9 37.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.6 mtp -103.65 178.36 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' THR . 49.6 t0 48.32 30.75 2.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.59 HG12 HD11 ' A' ' 110' ' ' ILE . 22.0 t -76.57 110.62 12.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 t -154.62 158.61 39.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.016 ' CD2' HG22 ' A' ' 34' ' ' VAL . 56.3 mt -107.01 160.18 15.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -159.06 118.23 1.72 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.563 ' HB2' HD13 ' A' ' 115' ' ' LEU . 18.3 Cg_endo -74.97 117.84 5.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.792 HG23 HG23 ' A' ' 28' ' ' THR . 3.0 m -102.78 -36.47 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.792 HG23 HG23 ' A' ' 27' ' ' VAL . 13.0 p -121.2 -144.15 0.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.433 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -107.95 -47.25 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -110.92 42.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.245 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -164.39 151.86 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.056 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.569 HD11 HG23 ' A' ' 114' ' ' THR . 86.2 mt -139.85 150.51 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -100.18 127.02 46.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.016 HG22 ' CD2' ' A' ' 24' ' ' LEU . 68.7 t -113.17 113.86 45.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.443 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.7 p -115.11 142.62 46.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.558 ' CD2' HG11 ' A' ' 95' ' ' VAL . 20.3 p90 -156.15 162.37 40.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 107.95 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -115.0 169.6 8.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.66 137.62 62.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 101.88 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? 46.86 -170.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -117.33 -44.89 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -76.0 -31.07 58.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 45' ' ' ASN . 58.9 mt -74.85 -33.25 62.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' LEU . 6.9 mt-30 -38.5 -31.36 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 43' ' ' LEU . 97.5 m-20 41.28 60.26 2.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.77 166.88 42.92 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 48' ' ' ILE . 71.5 t -52.04 166.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.559 HG21 ' CE1' ' A' ' 51' ' ' TYR . 5.1 mm -116.45 137.17 51.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -83.86 -31.96 25.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.58 178.79 41.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 1.008 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 6.8 m-85 -131.49 164.35 25.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 0.738 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.437 ' CD ' HG21 ' A' ' 68' ' ' ILE . 15.6 mt-30 -113.64 129.65 56.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.65 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.0 mp -113.92 98.67 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.449 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -95.34 119.57 6.22 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.617 ' CD1' HD22 ' A' ' 82' ' ' LEU . 23.4 p90 -129.74 145.24 51.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.571 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -156.44 146.12 20.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.543 ' HA ' ' CE1' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -47.4 157.75 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -109.01 25.57 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.79 162.6 56.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.98 29.61 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.502 1.791 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.48 -12.57 39.52 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.5 t -74.98 157.11 35.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.976 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -46.06 -38.45 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.04 -73.64 0.83 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -43.52 121.97 2.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.571 ' CD1' ' HG2' ' A' ' 56' ' ' ARG . 14.0 m-85 -60.19 115.02 3.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.424 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 45.6 m -64.36 107.0 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.966 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.454 HD13 ' HA ' ' A' ' 68' ' ' ILE . 27.5 mm -84.56 145.25 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -135.89 118.16 21.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 71' ' ' MET . 2.1 tt0 -80.6 140.71 35.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.427 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 3.6 ppp? -149.32 178.38 8.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.416 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -117.37 151.87 36.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.29 100.51 11.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 56.3 p -60.8 -39.23 88.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.07 -144.57 4.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.32 -47.9 72.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.4 p -98.28 143.33 28.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.444 ' OE1' ' CE1' ' A' ' 51' ' ' TYR . 3.7 mt-10 -135.21 154.38 51.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.443 ' CG2' HG22 ' A' ' 35' ' ' THR . 10.3 p -150.31 150.89 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.26 121.21 10.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.7 m -86.23 100.6 12.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.65 HD11 ' CG2' ' A' ' 53' ' ' ILE . 11.5 mt -78.15 107.64 10.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.37 -175.66 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 62.06 57.92 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.44 HD12 HG13 ' A' ' 32' ' ' ILE . 38.6 mt -117.18 -176.57 3.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.18 177.8 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -100.13 128.72 46.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.356 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.8 t80 38.3 63.58 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.86 149.21 43.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -74.9 137.1 41.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 57' ' ' GLU . 5.4 m-85 -139.93 137.49 34.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 111.023 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.6 124.61 6.17 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.625 HG13 HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -131.21 157.94 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.79 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.406 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 16.5 m -126.05 163.22 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.558 HG11 ' CD2' ' A' ' 36' ' ' TRP . 25.1 t -134.81 134.67 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -143.7 143.92 31.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 1.008 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.48 123.09 34.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 2.9 p90 -120.79 129.01 53.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 102' ' ' GLY . 14.0 p30 -122.9 178.3 5.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -64.97 -26.68 68.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' ' 13' ' ' ALA . . . -70.57 -26.21 63.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.422 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 148.52 -171.15 28.95 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.533 1.145 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.9 m -109.55 160.24 16.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 0.78 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.15 -171.52 17.39 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.33 31.5 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.461 1.769 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.9 p -87.46 172.71 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.49 162.46 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.58 113.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -45.52 124.3 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.59 HD11 HG12 ' A' ' 22' ' ' VAL . 1.6 pt -112.33 -178.31 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 9.4 p-10 -152.65 172.91 15.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.543 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . 177.85 99.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.2 m -64.79 116.45 6.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.569 HG23 HD11 ' A' ' 32' ' ' ILE . 11.7 p -49.41 157.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.563 HD13 ' HB2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -54.1 171.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.29 9.93 31.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.92 170.19 22.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -73.72 174.78 48.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 166.05 30.04 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.34 126.41 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.2 m -64.16 96.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -165.68 116.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 m 57.25 173.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.63 -162.74 11.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.17 89.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.767 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.0 136.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.28 136.41 4.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.3 pt -107.1 157.69 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.75 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.5 p -149.05 72.85 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.052 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.512 HG22 ' H ' ' A' ' 11' ' ' GLU . 3.4 m -98.66 -144.93 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.512 ' H ' HG22 ' A' ' 10' ' ' THR . 0.0 OUTLIER -138.72 54.6 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.0 162.91 18.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.14 145.01 51.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -48.56 163.49 0.31 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.96 143.61 29.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -114.61 46.27 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.94 140.32 4.62 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.79 15.68 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.973 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 158.51 42.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.4 ' O ' ' N ' ' A' ' 37' ' ' LYS . 47.8 mmm -102.18 172.6 6.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 57.6 t0 53.31 21.15 2.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.927 HG11 ' OG ' ' A' ' 107' ' ' SER . 89.4 t -65.92 106.2 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 t -150.41 154.57 37.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.963 ' CD2' HG22 ' A' ' 34' ' ' VAL . 26.3 mt -106.86 165.43 11.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -164.86 118.07 0.96 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 107.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.426 1.75 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.811 HG23 HG23 ' A' ' 28' ' ' THR . 3.5 m -92.98 -34.29 5.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.811 HG23 HG23 ' A' ' 27' ' ' VAL . 13.5 p -120.21 -154.04 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.43 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 p -111.84 -12.03 13.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -135.48 18.25 3.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 6.4 t -146.93 166.41 26.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.7 mt -147.76 147.71 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -100.83 110.26 22.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.963 HG22 ' CD2' ' A' ' 24' ' ' LEU . 62.4 t -99.14 108.68 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -114.07 138.96 49.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.799 ' CE3' HG11 ' A' ' 95' ' ' VAL . 14.3 p90 -148.07 -176.93 5.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 108.028 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 20' ' ' MET . 4.2 mtpt -136.73 162.15 33.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -48.27 141.79 8.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 167.77 26.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.673 ' HB2' HD12 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -37.94 139.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -51.93 45.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -64.78 -12.86 52.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.673 HD12 ' HB2' ' A' ' 40' ' ' LYS . 95.4 mt -104.16 -20.39 13.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 40' ' ' LYS . 4.9 mt-30 -54.29 -35.68 62.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 50.24 40.11 21.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 109.83 171.0 20.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.0 m -53.92 -178.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.556 HG21 ' CE1' ' A' ' 51' ' ' TYR . 5.5 mm -128.04 150.03 33.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -100.24 -31.12 11.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.405 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 173.77 177.1 42.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 1.003 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.0 m-85 -132.78 150.62 52.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -101.08 129.96 47.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.846 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.1 mp -108.94 96.73 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.435 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -95.58 123.66 7.73 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.809 ' CB ' HG22 ' A' ' 93' ' ' VAL . 32.0 p90 -145.87 143.83 29.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.567 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 2.0 ptm180 -156.64 148.16 22.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -48.2 148.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.364 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.74 37.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.74 164.45 53.31 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.8 3.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.439 1.757 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 42.93 59.27 3.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' ASN . 4.0 t -78.28 1.18 22.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.043 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 62' ' ' SER . 51.2 m-80 39.25 57.08 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.09 83.77 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -40.19 129.29 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 15.1 m-85 -38.96 115.89 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.606 ' OG ' ' CE1' ' A' ' 55' ' ' TYR . 54.2 p -61.84 109.15 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.968 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.435 HD13 ' CA ' ' A' ' 54' ' ' GLY . 38.2 mm -88.17 145.03 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.588 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -137.63 117.16 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 71' ' ' MET . 3.2 tt0 -80.56 140.62 35.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 2.0 ppp? -148.15 -176.65 5.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 111.006 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.484 ' HE3' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -122.89 149.7 43.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.88 130.56 37.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.376 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.484 HG22 ' HE3' ' A' ' 72' ' ' LYS . 69.8 p -111.53 27.1 9.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.418 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.39 -158.49 23.69 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.1 -28.55 62.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.767 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.1 p -112.46 141.13 46.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.593 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 2.6 mt-10 -136.07 153.77 51.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 34' ' ' VAL . 12.1 p -148.26 149.82 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -145.06 119.93 9.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.9 m -85.63 94.17 9.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.454 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.846 HD11 ' CG2' ' A' ' 53' ' ' ILE . 27.3 mt -72.41 106.73 4.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.85 -176.31 3.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.724 ' O ' HD23 ' A' ' 85' ' ' LEU . 12.1 m-20 62.59 65.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.724 HD23 ' O ' ' A' ' 84' ' ' ASN . 11.4 mt -130.25 177.01 7.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 170.12 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -99.11 136.94 38.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.5 t80 42.22 55.94 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -136.57 148.78 47.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -74.78 135.06 41.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -141.97 130.88 23.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -108.25 132.61 11.2 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.809 HG22 ' CB ' ' A' ' 55' ' ' TYR . 24.3 t -126.72 154.22 36.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 0.734 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.44 120.12 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.799 HG11 ' CE3' ' A' ' 36' ' ' TRP . 17.9 t -98.62 146.04 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -150.37 143.1 24.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 1.003 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.19 117.75 29.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.595 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -114.93 133.81 55.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.534 ' OD1' HG23 ' A' ' 48' ' ' ILE . 0.4 OUTLIER -124.22 170.59 10.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -25.88 64.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.18 -23.17 60.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 149.43 -172.64 29.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.2 m -108.58 148.69 29.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -101.84 -176.29 28.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.431 1.082 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 154.63 42.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.418 1.746 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.71 166.36 13.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.927 ' OG ' HG11 ' A' ' 22' ' ' VAL . 4.2 p -83.35 161.66 21.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.1 119.01 3.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -41.19 122.69 1.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.264 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.591 HD11 HG12 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -110.77 -172.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -151.05 173.45 14.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.672 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -179.03 77.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.9 m -47.78 112.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.0 p -48.21 148.05 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.385 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 35.4 mt -40.77 145.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 116' ' ' GLU . 12.3 tt0 -77.95 -0.74 28.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.0 m 61.82 93.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.033 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.28 -162.42 27.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 106.69 2.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.552 1.817 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.7 p -141.89 -61.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.88 -61.71 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.991 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.33 119.44 4.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -173.1 157.17 3.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.03 92.69 0.73 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -170.19 156.74 5.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.13 -59.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.986 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.83 -126.29 9.84 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.8 mm -93.33 132.49 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -173.84 111.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 11' ' ' GLU . 3.5 m -84.71 -141.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.451 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.461 ' H ' HG22 ' A' ' 10' ' ' THR . 5.6 mt-10 -94.99 30.16 2.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 11' ' ' GLU . 1.7 tt0 54.31 168.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.48 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . . . -138.95 143.01 38.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.0 151.8 1.08 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 123.08 7.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.554 ' O ' HD22 ' A' ' 43' ' ' LEU . 47.7 m-20 -93.64 46.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.647 ' HA3' HD13 ' A' ' 43' ' ' LEU . . . 174.41 141.51 3.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.16 21.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.51 1.795 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 18.1 Cg_endo -75.07 159.62 40.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.773 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.414 ' O ' ' N ' ' A' ' 37' ' ' LYS . 6.0 mtp -99.85 174.58 6.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.2 t0 53.33 32.82 14.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.691 HG11 ' OG ' ' A' ' 107' ' ' SER . 33.9 t -74.38 106.89 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 t -153.33 154.64 34.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.048 ' CD2' HG22 ' A' ' 34' ' ' VAL . 18.9 mt -107.14 161.47 14.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.15 118.33 1.71 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.241 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.805 HG23 HG23 ' A' ' 28' ' ' THR . 4.0 m -109.26 -34.73 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.805 HG23 HG23 ' A' ' 27' ' ' VAL . 27.3 p -117.58 -164.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.0 m -90.56 -42.88 10.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -119.61 44.28 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.506 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.6 OUTLIER -164.12 148.34 9.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.954 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.527 HD11 ' CG2' ' A' ' 114' ' ' THR . 93.3 mt -134.63 155.84 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -104.96 125.59 51.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.048 HG22 ' CD2' ' A' ' 24' ' ' LEU . 85.6 t -110.43 111.62 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 p -114.44 142.47 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.69 ' CE3' HG11 ' A' ' 95' ' ' VAL . 13.6 p90 -153.68 178.36 9.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 108.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' MET . 2.5 mtpt -132.84 163.29 29.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -41.67 136.49 1.97 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.06 103.48 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER 45.66 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -117.4 -49.25 2.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -91.46 33.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.647 HD13 ' HA3' ' A' ' 17' ' ' GLY . 14.0 mt -130.33 -44.96 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' LEU . 47.0 mt-30 -36.75 -38.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 56.75 52.64 9.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.54 169.65 24.63 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.445 1.091 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.47 HG22 ' H ' ' A' ' 48' ' ' ILE . 9.8 p -54.25 168.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.862 HG21 ' CE1' ' A' ' 51' ' ' TYR . 7.4 mm -117.04 142.9 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.57 -31.22 13.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.578 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 175.81 -179.99 46.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.976 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 18.6 m-85 -137.31 161.04 37.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.743 ' C ' HD12 ' A' ' 53' ' ' ILE . 37.7 mt-30 -111.12 158.26 19.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.882 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.6 mp -139.57 101.98 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.425 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -95.8 115.41 5.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.501 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 34.9 p90 -126.94 146.26 50.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 0.736 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.573 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.97 132.29 9.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 3.5 tt0 -40.34 124.71 1.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -87.2 46.67 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -92.27 158.6 38.75 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.05 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 99.88 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.45 51.2 2.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.5 m -89.4 172.3 9.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 0.738 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.63 -53.53 37.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.36 -56.39 0.5 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.2 mp0 -46.36 119.6 2.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 15.2 m-85 -81.36 126.33 31.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.501 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 16.9 m -72.46 107.29 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 68' ' ' ILE . 31.3 mm -84.47 147.26 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -142.99 112.65 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -82.07 135.57 35.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.262 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.55 ' HB3' ' CE1' ' A' ' 80' ' ' TYR . 8.2 ptm -144.53 151.5 39.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.37 160.57 32.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.15 129.23 40.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.9 p -103.08 39.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.85 -155.43 17.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.89 -42.16 97.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.8 p -97.46 131.75 43.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 12.3 mp0 -135.61 145.42 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 34' ' ' VAL . 11.8 p -142.42 149.61 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 71' ' ' MET . 25.9 t80 -139.36 129.69 25.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.5 m -85.29 100.62 11.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.882 HD11 ' CG2' ' A' ' 53' ' ' ILE . 28.6 mt -81.27 108.33 14.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.48 -174.37 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 61.7 54.87 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.5 mt -113.98 -179.02 3.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 155.09 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -79.98 134.7 36.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.1 t80 39.99 66.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.79 142.11 25.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -74.69 140.78 44.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 6.4 m-85 -141.31 123.75 15.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.19 116.8 5.56 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.56 HG13 HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -127.01 162.07 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.474 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 31.6 m -126.68 178.71 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.69 HG11 ' CE3' ' A' ' 36' ' ' TRP . 17.1 t -147.71 141.19 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -151.45 147.85 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.305 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.976 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.41 136.75 32.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.594 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 3.5 p90 -129.49 131.12 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -124.29 178.37 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -65.25 -16.27 63.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.48 ' HB1' ' HA ' ' A' ' 13' ' ' ALA . . . -82.29 -26.04 33.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.239 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.98 -164.14 29.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 15.8 m -114.05 156.34 24.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -104.08 179.27 24.94 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 156.58 43.22 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.9 p -75.46 173.14 11.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.691 ' OG ' HG11 ' A' ' 22' ' ' VAL . 5.6 p -108.31 161.54 14.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.96 116.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -50.63 128.15 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.654 HD12 ' HG ' ' A' ' 24' ' ' LEU . 2.5 pt -111.18 -178.78 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -152.43 159.44 43.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -171.99 96.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.1 m -66.63 114.29 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.527 ' CG2' HD11 ' A' ' 32' ' ' ILE . 26.4 p -46.94 155.74 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.42 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -48.71 175.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 116' ' ' GLU . 17.8 tt0 -97.43 -2.58 41.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.3 t 63.51 123.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.007 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -149.23 -175.91 22.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 96.09 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.35 90.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 37.0 m -84.42 116.12 22.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -107.21 92.75 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 110.054 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.3 p -148.56 134.97 19.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.04 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.19 163.64 35.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.79 163.39 5.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 109.987 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -149.53 155.12 39.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.48 71.72 0.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.7 mt 64.93 113.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.29 90.54 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.65 111.53 10.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 68.76 126.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -134.66 179.06 6.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -138.48 145.23 40.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -54.1 163.51 1.2 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 18.4 Cg_endo -74.99 149.12 36.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -118.94 44.42 2.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 171.1 146.15 5.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.4 14.57 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 165.99 30.1 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.8 mtp -103.46 178.53 4.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.2 t70 47.92 31.97 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.838 HG12 HD11 ' A' ' 110' ' ' ILE . 45.1 t -77.24 108.32 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.1 t -148.83 159.19 44.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.004 ' CD2' HG22 ' A' ' 34' ' ' VAL . 71.3 mt -110.6 165.44 11.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -166.64 118.42 0.78 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.478 ' HB2' ' CD1' ' A' ' 115' ' ' LEU . 18.2 Cg_endo -75.05 109.95 3.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.797 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.9 m -97.59 -33.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.484 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 0.8 OUTLIER -130.51 172.53 11.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.422 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -80.5 -12.89 59.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -134.34 39.64 3.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -171.17 168.52 6.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 110.016 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.498 HG13 HD12 ' A' ' 85' ' ' LEU . 41.8 mt -153.74 140.94 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -91.83 132.38 36.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.342 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.004 HG22 ' CD2' ' A' ' 24' ' ' LEU . 94.4 t -124.18 114.36 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.46 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.9 p -116.16 143.61 45.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.422 1.076 . . . . 0.0 110.432 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.792 ' CD2' HG11 ' A' ' 95' ' ' VAL . 22.5 p90 -155.59 161.78 40.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -114.69 173.72 6.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.431 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -57.23 138.37 80.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 97.74 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.515 1.797 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.569 ' HB2' HD12 ' A' ' 43' ' ' LEU . 0.9 OUTLIER 44.61 -167.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -116.79 -45.85 2.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.35 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.99 -20.57 57.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' ' 40' ' ' LYS . 75.2 mt -82.14 -30.14 31.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -42.4 -37.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 45.43 44.61 9.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.1 157.97 23.14 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.0 t -48.85 157.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.513 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.2 mm -107.28 150.35 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -100.26 -33.68 10.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 175.9 176.42 44.1 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.993 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 6.8 m-85 -131.9 144.98 51.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -93.66 125.05 38.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.905 HG21 HD21 ' A' ' 82' ' ' LEU . 4.6 mp -105.71 95.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.489 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -88.96 127.06 8.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 111.042 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.573 ' CE1' HD12 ' A' ' 82' ' ' LEU . 52.9 p90 -141.16 139.35 33.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.3 OUTLIER -156.49 155.22 31.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.537 ' HA ' ' CE1' ' A' ' 91' ' ' TYR . 1.3 tt0 -56.28 129.44 40.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -94.22 42.51 1.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.17 164.65 59.69 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 90.78 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.441 1.758 . . . . 0.0 111.059 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.49 46.95 3.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.99 155.49 27.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 -137.98 72.98 1.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -143.61 99.02 0.22 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.518 1.137 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -38.53 123.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.565 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 11.2 m-85 -38.89 115.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -64.39 105.62 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.489 HD13 ' CA ' ' A' ' 54' ' ' GLY . 30.7 mm -85.45 152.4 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -144.51 116.85 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.58 140.1 35.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.438 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -148.32 -176.26 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -120.82 148.43 44.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.0 111.43 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.7 p -67.9 -38.92 83.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.41 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.43 -140.63 3.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -20.23 61.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 80.9 p -129.16 143.62 50.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 78' ' ' GLU . 12.5 mp0 -134.6 153.13 52.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.088 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.46 ' CG2' HG22 ' A' ' 35' ' ' THR . 9.4 p -143.48 150.8 17.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.479 ' CE1' HD13 ' A' ' 82' ' ' LEU . 5.1 t80 -146.52 143.74 29.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 3.3 m -116.09 102.32 9.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.905 HD21 HG21 ' A' ' 53' ' ' ILE . 2.9 mm? -75.01 106.51 6.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.448 ' OD1' ' ND2' ' A' ' 84' ' ' ASN . 0.3 OUTLIER -89.78 172.52 8.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.448 ' ND2' ' OD1' ' A' ' 83' ' ' ASP . 61.5 m-20 67.23 60.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.498 HD12 HG13 ' A' ' 32' ' ' ILE . 52.6 mt -120.41 145.85 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -57.8 -179.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 88' ' ' PHE . 36.6 mtpt -104.21 141.09 36.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 116' ' ' GLU . 9.4 t80 35.02 40.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.424 ' C ' HG23 ' A' ' 113' ' ' THR . . . -114.28 141.46 47.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -74.59 128.89 36.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.537 ' CE1' ' HA ' ' A' ' 57' ' ' GLU . 14.8 m-85 -131.67 145.02 51.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -120.95 110.09 1.65 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.048 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.564 HG22 ' CB ' ' A' ' 55' ' ' TYR . 85.4 t -101.84 155.79 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.774 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 m -137.09 143.51 34.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.792 HG11 ' CD2' ' A' ' 36' ' ' TRP . 14.7 t -122.2 145.15 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.408 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 5.8 pt20 -153.11 144.88 23.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.993 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.2 122.14 33.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 2.2 p90 -123.06 129.95 52.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -124.23 172.71 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -25.87 64.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.18 -24.69 63.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.32 -169.88 28.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.44 HG23 ' CB ' ' A' ' 98' ' ' PHE . 6.9 m -112.3 155.97 23.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 110.435 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.38 -174.1 17.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.539 1.15 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.51 42.77 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.469 1.773 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -99.61 172.98 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.96 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.605 ' OG ' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -83.06 160.21 21.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -57.61 115.43 2.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 108' ' ' SER . 24.8 tt0 -38.16 122.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.838 HD11 HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -95.21 -166.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -151.52 146.32 25.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -169.09 90.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.424 HG23 ' C ' ' A' ' 89' ' ' ALA . 54.7 m -69.05 108.47 3.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.47 HG22 HD11 ' A' ' 32' ' ' ILE . 74.8 p -38.95 158.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.435 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.64 HD22 ' H ' ' A' ' 115' ' ' LEU . 0.4 OUTLIER -45.09 168.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . 17.3 tt0 -93.52 -2.15 54.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.34 120.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 178.55 -139.96 4.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 123.76 8.13 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.2 99.22 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.31 -59.56 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.985 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.461 1.1 . . . . 0.0 110.976 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m 60.46 149.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 110.017 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m 60.77 169.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.89 177.41 14.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.28 151.18 50.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 m -158.14 123.51 4.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.57 98.23 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 mt 66.48 112.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.56 116.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 11' ' ' GLU . 2.8 m -89.35 -142.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' H ' HG22 ' A' ' 10' ' ' THR . 0.1 OUTLIER -134.95 40.51 2.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.531 ' HB3' ' HB2' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -47.61 170.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.478 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . . . -152.36 145.77 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.14 153.05 1.73 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.16 42.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.49 ' O ' HD13 ' A' ' 43' ' ' LEU . 5.0 m-20 -123.95 55.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 160.85 143.72 3.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.96 17.29 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.774 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.402 ' HG2' ' HA ' ' A' ' 39' ' ' PRO . 39.6 mmm -109.72 176.03 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 35' ' ' THR . 35.0 t70 51.73 25.45 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.752 HG11 ' OG ' ' A' ' 107' ' ' SER . 46.8 t -68.5 108.0 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -152.48 157.08 40.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.971 ' CD2' HG22 ' A' ' 34' ' ' VAL . 33.6 mt -107.87 166.69 10.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -166.86 117.3 0.74 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 109.84 3.01 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -93.97 -33.75 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.431 ' CB ' ' HG ' ' A' ' 31' ' ' SER . 0.7 OUTLIER -131.7 -176.79 4.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.386 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -59.54 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.402 ' NE2' ' HE2' ' A' ' 87' ' ' LYS . 2.1 mt-30 -106.74 54.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.431 ' HG ' ' CB ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -174.17 131.0 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.961 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' THR . 96.5 mt -122.24 154.32 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -109.45 129.59 55.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.971 HG22 ' CD2' ' A' ' 24' ' ' LEU . 48.9 t -116.06 113.32 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 21' ' ' ASP . 1.2 p -113.03 137.76 50.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.61 ' CD2' HG11 ' A' ' 95' ' ' VAL . 22.7 p90 -151.32 161.34 42.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -116.33 156.64 26.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -41.5 143.94 0.81 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.549 1.156 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.03 172.05 17.12 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.449 1.763 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -38.09 131.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -61.07 -54.61 42.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -61.19 -14.33 24.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 16' ' ' ASP . 79.8 mt -113.71 48.16 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -113.84 -40.32 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 55.97 41.35 29.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.77 -176.45 19.98 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.552 1.157 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.7 t -70.62 159.56 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.788 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.5 mm -105.73 141.67 20.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 49' ' ' ARG . 5.6 mmm180 -88.51 -44.83 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.25 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.425 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . -172.97 172.67 45.25 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.14 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.93 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.0 m-85 -129.77 136.42 49.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -85.93 133.83 33.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.734 HG21 HD21 ' A' ' 82' ' ' LEU . 4.2 mp -112.35 96.4 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 93' ' ' VAL . . . -92.07 108.3 3.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.467 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 28.1 p90 -121.97 143.11 49.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.582 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.4 OUTLIER -156.64 143.29 18.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.304 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.49 ' HA ' ' CD1' ' A' ' 91' ' ' TYR . 1.5 tt0 -47.4 129.74 13.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.4 ' CG ' ' OE1' ' A' ' 90' ' ' GLN . 18.9 t-20 -90.31 41.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.15 161.95 73.3 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.053 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 106.83 2.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.85 48.26 17.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.96 151.44 25.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.961 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -129.98 71.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -140.71 96.39 0.21 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' GLY . 9.8 pt20 -38.54 133.56 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 11.8 m-85 -46.4 114.81 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.45 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 66.0 m -64.49 104.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 39.3 mm -85.36 147.76 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.482 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -144.05 117.47 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -80.34 138.47 36.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 3.0 ppp? -145.22 -175.88 4.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.405 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -123.93 150.45 44.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.51 119.71 21.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.5 p -95.96 27.36 3.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 128.8 -146.15 16.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.551 1.157 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -81.13 -29.13 34.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 109.36 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.5 p -110.11 138.29 46.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.475 ' OE1' ' CE1' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -137.02 146.68 45.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.347 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 11.1 p -142.1 151.36 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.596 ' CE1' HD13 ' A' ' 82' ' ' LEU . 3.4 t80 -142.82 135.8 28.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 24.3 m -106.14 101.26 10.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.734 HD21 HG21 ' A' ' 53' ' ' ILE . 2.6 mm? -78.44 106.66 10.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.05 -177.47 4.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 61.52 48.52 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.073 . . . . 0.0 109.337 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 15.5 mt -107.98 167.45 9.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -76.91 179.11 6.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.402 ' HE2' ' NE2' ' A' ' 30' ' ' GLN . 7.1 mttm -101.04 130.51 47.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.522 ' CG ' ' HB2' ' A' ' 116' ' ' GLU . 7.4 t80 37.58 63.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 111.042 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -137.52 145.97 43.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.4 ' OE1' ' CG ' ' A' ' 58' ' ' ASN . 17.6 tt0 -74.39 133.25 42.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.49 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 4.3 m-85 -135.1 134.06 39.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.35 125.28 6.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.617 HG13 HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -126.03 161.3 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.746 . . . . 0.0 109.357 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 6.2 m -137.9 125.23 29.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.61 HG11 ' CD2' ' A' ' 36' ' ' TRP . 19.0 t -97.48 146.13 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -146.9 145.74 29.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.93 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.53 121.59 33.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 1.0 OUTLIER -125.34 131.47 53.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.527 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 21.2 p30 -124.17 177.25 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -62.6 -19.54 63.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.531 ' HB2' ' HB3' ' A' ' 12' ' ' GLU . . . -78.61 -25.59 45.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 151.03 -159.59 28.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.409 HG23 ' CB ' ' A' ' 98' ' ' PHE . 25.4 m -124.75 147.33 48.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.1 -169.57 26.05 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.91 42.38 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.5 1.789 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -91.01 166.93 12.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.752 ' OG ' HG11 ' A' ' 22' ' ' VAL . 93.2 p -87.64 157.1 19.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.12 162.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -87.75 124.06 33.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.654 HD11 HG12 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -108.91 -172.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -150.98 158.09 43.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.628 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -169.32 89.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.4 m -59.0 131.71 51.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.386 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.8 p -61.59 176.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 31.9 mt -84.97 142.47 29.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 116' ' ' GLU . 14.0 tt0 -91.88 -0.66 57.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.1 m 60.73 109.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -170.38 -156.37 11.2 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 132.57 15.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.5 m -110.32 103.73 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.0 t -145.65 131.43 19.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.61 99.96 3.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 0.745 . . . . 0.0 109.96 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t 74.95 -58.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.55 -84.04 1.4 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -93.25 134.16 35.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -145.09 -60.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.959 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.04 74.25 0.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.9 mt -96.59 72.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.45 107.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.511 HG22 ' H ' ' A' ' 11' ' ' GLU . 3.7 m -90.7 -143.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.511 ' H ' HG22 ' A' ' 10' ' ' THR . 4.5 pt-20 -176.16 124.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -90.29 -177.91 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.63 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . . . -150.99 143.78 24.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.6 146.42 7.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 129.58 12.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.35 32.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -171.27 146.71 9.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.81 13.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.48 26.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.808 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.29 170.8 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 t0 48.27 44.23 19.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.541 HG11 ' OG ' ' A' ' 107' ' ' SER . 89.1 t -82.07 106.23 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.222 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.6 t -150.7 162.66 40.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.042 ' CD2' HG22 ' A' ' 34' ' ' VAL . 30.1 mt -117.01 157.98 24.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -161.04 117.77 1.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 121.15 6.42 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.6 HG23 HG23 ' A' ' 28' ' ' THR . 2.6 m -100.28 -34.12 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.6 HG23 HG23 ' A' ' 27' ' ' VAL . 64.5 p -117.78 -146.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.448 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.8 m -112.82 -24.47 9.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -128.39 38.38 3.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 5.8 t -163.5 166.9 22.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.03 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 81' ' ' THR . 58.5 mt -148.73 156.91 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -107.87 115.09 29.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.042 HG22 ' CD2' ' A' ' 24' ' ' LEU . 52.9 t -102.09 107.6 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.446 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.1 p -110.04 137.16 48.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.785 ' CD2' HG11 ' A' ' 95' ' ' VAL . 25.8 p90 -151.91 160.71 43.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 107.97 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -117.57 155.71 29.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.18 139.86 0.99 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -74.96 176.14 10.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.784 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.555 ' HB2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -38.58 142.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -56.4 5.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.01 -14.3 15.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.555 HD12 ' HB2' ' A' ' 40' ' ' LYS . 87.5 mt -101.9 -34.63 9.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 40' ' ' LYS . 3.6 mt-30 -37.73 -32.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . 56.0 m-20 49.56 48.53 21.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.352 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 97.03 176.77 34.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.51 HG22 ' N ' ' A' ' 48' ' ' ILE . 14.9 p -58.03 169.15 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 109.36 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.51 ' N ' HG22 ' A' ' 47' ' ' VAL . 4.7 mm -119.63 131.05 73.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -78.34 -27.39 47.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 173.61 -177.27 46.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.981 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 14.4 m-85 -135.46 163.26 30.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 0.736 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.527 ' C ' HD12 ' A' ' 53' ' ' ILE . 34.8 mt-30 -114.22 145.67 41.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.845 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.4 mp -127.36 97.19 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 93' ' ' VAL . . . -90.73 113.61 4.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.489 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 22.8 p90 -127.18 145.65 50.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 0.712 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.566 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 1.3 ptt180 -157.08 135.27 11.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.357 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.508 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 2.5 tt0 -47.51 124.96 7.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -88.5 45.62 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.79 168.11 8.55 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 81.81 2.14 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.65 44.47 0.24 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 p -40.6 158.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -55.62 -39.4 70.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.07 -111.2 0.41 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -90.17 176.29 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 110.32 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.566 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 8.1 m-85 -77.38 123.59 26.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.0 m -68.8 104.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.458 ' CG2' ' NE2' ' A' ' 52' ' ' GLN . 20.6 mm -84.4 123.88 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -124.58 112.82 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.54 137.18 32.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.427 ' HE1' ' HB3' ' A' ' 78' ' ' GLU . 1.6 ppp? -135.78 -177.03 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' O ' ' SD ' ' A' ' 71' ' ' MET . 2.4 mttm -97.03 155.65 16.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.38 101.79 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.413 ' H ' HG23 ' A' ' 74' ' ' THR . 55.3 p -50.19 -44.43 52.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.411 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.79 -126.81 1.06 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.78 -43.72 75.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.9 p -108.77 146.05 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.975 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.445 ' OE1' ' NE1' ' A' ' 36' ' ' TRP . 3.2 mp0 -138.49 147.85 43.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.446 ' CG2' HG22 ' A' ' 35' ' ' THR . 11.0 p -143.08 150.59 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -145.54 138.93 26.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 3.8 m -102.51 99.98 10.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.845 HD11 ' CG2' ' A' ' 53' ' ' ILE . 14.4 mt -77.62 106.37 9.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.28 -175.51 3.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 62.59 58.2 1.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 22.5 mt -116.8 -174.47 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.64 173.96 7.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -98.39 107.81 20.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.447 ' HB2' ' HA ' ' A' ' 116' ' ' GLU . 8.6 t80 58.69 72.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.02 150.0 33.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -74.6 130.42 39.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.508 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 2.1 m-85 -131.62 131.21 43.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -114.6 108.58 2.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.686 HG13 HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -117.5 156.23 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.5 m -125.79 152.48 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.785 HG11 ' CD2' ' A' ' 36' ' ' TRP . 23.0 t -122.3 139.75 48.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -148.28 144.99 27.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.981 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.23 132.38 36.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.6 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 1.8 p90 -127.38 133.65 50.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.567 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 16.5 p30 -124.11 178.5 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -66.37 -15.75 63.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.63 ' HB1' ' HA ' ' A' ' 13' ' ' ALA . . . -82.68 -25.7 32.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 150.29 -172.71 30.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 111.06 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.7 m -109.75 157.82 18.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.18 -176.08 26.46 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 153.6 41.87 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.804 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.96 152.1 38.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.541 ' OG ' HG11 ' A' ' 22' ' ' VAL . 83.0 p -81.45 169.43 17.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.13 118.3 6.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.84 124.52 20.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.525 HG22 ' H ' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -109.29 -163.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.525 ' H ' HG22 ' A' ' 110' ' ' ILE . 34.6 p30 -148.76 152.72 37.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -166.12 98.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.3 m -70.81 123.63 22.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 30.0 p -61.78 152.51 31.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.367 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.534 ' CD1' ' HA ' ' A' ' 119' ' ' PRO . 19.3 mt -51.95 146.14 8.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 116' ' ' GLU . 10.6 tt0 -88.81 2.65 53.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 118' ' ' GLY . 0.2 OUTLIER -173.52 103.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.447 ' O ' HD12 ' A' ' 115' ' ' LEU . . . 36.31 -150.34 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.534 ' HA ' ' CD1' ' A' ' 115' ' ' LEU . 18.4 Cg_endo -75.0 -55.41 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.536 1.809 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.48 -55.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.01 -57.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.13 -58.4 1.64 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 0.799 . . . . 0.0 110.021 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 t 63.08 163.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.08 -95.42 0.11 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.55 1.157 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 p -135.85 -58.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -158.02 82.91 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.024 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.2 -122.74 1.22 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.0 mt 64.74 137.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.766 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.8 t -125.92 -137.12 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.493 HG22 ' H ' ' A' ' 11' ' ' GLU . 4.8 m -82.01 -141.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' H ' HG22 ' A' ' 10' ' ' THR . 19.6 mt-10 -120.23 92.51 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.25 171.97 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.411 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . . . -145.56 143.9 30.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.96 157.06 0.29 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.404 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.1 Cg_endo -74.99 144.51 30.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.504 1.791 . . . . 0.0 110.967 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -114.86 37.95 3.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.96 139.96 5.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.81 13.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.3 mtp -108.9 173.14 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 49.83 40.86 21.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.739 HG11 ' OG ' ' A' ' 107' ' ' SER . 36.2 t -81.05 106.38 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -150.85 154.88 38.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.434 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.913 ' CD2' HG22 ' A' ' 34' ' ' VAL . 70.1 mt -105.69 165.82 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -164.52 118.47 1.0 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 114.52 4.04 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.458 1.768 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.742 HG23 HG23 ' A' ' 28' ' ' THR . 5.2 m -93.71 -37.82 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.742 HG23 HG23 ' A' ' 27' ' ' VAL . 26.2 p -126.25 -144.78 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.384 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.64 -23.72 10.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -126.25 38.19 4.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 11.6 t -168.9 156.53 7.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.705 HG13 HD12 ' A' ' 85' ' ' LEU . 63.0 mt -142.5 148.69 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -98.02 117.94 33.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.913 HG22 ' CD2' ' A' ' 24' ' ' LEU . 77.6 t -107.08 105.05 18.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.408 HG22 ' HB ' ' A' ' 79' ' ' VAL . 1.2 p -109.8 139.1 45.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.364 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.55 ' CH2' HD11 ' A' ' 53' ' ' ILE . 36.2 p90 -148.87 159.16 44.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 107.986 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 14.9 mttt -113.65 153.35 29.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 76' ' ' ASP . . . -39.93 142.89 0.64 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -74.97 174.77 12.21 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.551 1.816 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 39' ' ' PRO . 1.0 OUTLIER -39.56 148.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -77.59 -45.84 24.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.67 -11.17 60.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.9 mt -105.01 -13.87 15.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.35 -45.97 65.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 54.14 47.85 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.92 159.31 29.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.5 HG22 ' H ' ' A' ' 48' ' ' ILE . 11.7 p -48.75 170.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.5 ' H ' HG22 ' A' ' 47' ' ' VAL . 4.1 mm -116.33 137.78 48.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -87.15 -31.94 20.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.422 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 177.94 174.42 44.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.766 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 5.7 m-85 -129.81 143.23 50.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -93.5 130.24 39.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.881 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.8 mp -114.87 96.46 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -93.14 115.58 4.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 21.1 p90 -126.94 143.69 51.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -156.62 136.11 12.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -43.23 131.34 4.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -89.46 44.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.58 158.38 73.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.01 2.19 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.781 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.45 45.33 6.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.48 143.33 29.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.759 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -132.22 74.03 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -143.72 99.39 0.22 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -38.35 124.66 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 15.9 m-85 -41.16 121.79 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.544 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 50.3 m -70.07 106.73 3.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.2 mm -86.58 135.65 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.546 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -127.14 118.79 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -80.64 139.45 36.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.441 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 4.2 ppp? -147.32 178.9 8.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.518 ' NZ ' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -121.03 146.98 46.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.03 115.61 22.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.518 HG22 ' NZ ' ' A' ' 72' ' ' LYS . 43.9 p -72.36 -40.15 67.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 110.441 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.23 -128.37 1.04 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.438 1.086 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.501 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -83.75 -39.58 19.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.786 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.8 p -109.78 144.98 37.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 19.7 mm-40 -134.4 162.48 32.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.408 ' HB ' HG22 ' A' ' 35' ' ' THR . 8.4 p -149.85 152.3 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -146.34 123.3 11.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -88.2 93.7 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.881 HD11 ' CG2' ' A' ' 53' ' ' ILE . 15.8 mt -75.42 105.95 6.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.98 179.04 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.849 ' O ' HD23 ' A' ' 85' ' ' LEU . 6.9 m-80 63.88 68.8 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.849 HD23 ' O ' ' A' ' 84' ' ' ASN . 10.1 mt -134.59 133.25 40.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 145.26 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -78.27 140.92 38.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CE1' ' OE2' ' A' ' 116' ' ' GLU . 8.2 t80 44.32 62.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.03 141.67 23.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -74.85 125.06 28.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -120.67 124.13 44.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -102.15 119.55 6.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.772 HG13 HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -131.11 159.91 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 109.286 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.434 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 35.9 m -127.29 171.37 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.483 HG11 ' CD2' ' A' ' 36' ' ' TRP . 21.4 t -142.2 139.02 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -148.32 144.59 27.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.766 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.1 117.72 29.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 2.4 p90 -113.16 131.46 55.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -124.31 178.19 5.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -20.54 66.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.411 ' HB1' ' HA ' ' A' ' 13' ' ' ALA . . . -78.69 -16.44 57.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 142.18 -162.48 27.18 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.7 m -120.28 148.8 43.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 110.446 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -101.91 -178.54 27.96 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 155.66 43.17 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.15 177.34 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.02 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.739 ' OG ' HG11 ' A' ' 22' ' ' VAL . 15.3 p -102.39 165.62 11.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.73 121.99 2.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -52.3 117.88 3.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.674 HD12 ' HG ' ' A' ' 24' ' ' LEU . 4.2 pt -105.08 -177.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 22.8 m-80 -152.87 173.81 14.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -179.3 101.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.5 m -66.54 114.17 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.439 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.433 ' CG2' HD11 ' A' ' 32' ' ' ILE . 10.5 p -49.39 157.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 60.6 mt -53.41 169.04 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.564 ' OE2' ' CE1' ' A' ' 88' ' ' PHE . 2.4 mm-40 -77.48 0.79 21.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 48.3 t 64.68 138.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 139.55 157.25 7.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 112.85 3.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.3 t -176.77 152.52 0.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.0 m -139.03 105.76 5.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.0 p -153.12 156.53 38.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -179.62 152.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.16 162.38 13.23 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.76 162.13 27.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 p -132.19 160.93 34.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.57 174.67 13.46 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.593 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -92.79 137.76 21.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -101.39 68.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.529 HG22 ' H ' ' A' ' 11' ' ' GLU . 9.0 m -95.05 -137.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.529 ' H ' HG22 ' A' ' 10' ' ' THR . 9.6 pm0 -167.54 123.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.294 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -118.93 168.41 10.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.13 143.36 49.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.29 151.36 0.97 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 18.2 Cg_endo -75.03 108.89 2.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -84.62 50.5 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.702 ' HA3' HD13 ' A' ' 43' ' ' LEU . . . 177.89 138.48 3.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 168.99 23.62 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 155.35 43.26 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 41.9 mtp -101.59 177.22 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 35' ' ' THR . 13.1 t0 54.31 27.02 7.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.85 HG12 HD13 ' A' ' 110' ' ' ILE . 21.9 t -75.96 111.01 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -153.07 149.31 27.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.388 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.787 HD22 HG22 ' A' ' 34' ' ' VAL . 68.4 mt -100.44 164.69 11.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -167.06 118.84 0.75 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.29 6.5 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.471 1.774 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.819 HG23 HG23 ' A' ' 28' ' ' THR . 2.7 m -111.37 -35.48 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.819 HG23 HG23 ' A' ' 27' ' ' VAL . 7.9 p -117.57 -170.41 1.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.1 m -90.58 -21.42 21.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -136.53 47.45 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -168.16 166.71 12.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.984 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 53.6 mt -151.05 142.2 16.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -93.08 123.11 36.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.94 ' O ' HG23 ' A' ' 79' ' ' VAL . 50.4 t -111.78 128.15 68.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 21' ' ' ASP . 1.1 p -129.33 145.98 51.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.808 ' CD2' HG11 ' A' ' 95' ' ' VAL . 15.1 p90 -159.3 165.89 32.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 107.978 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.7 177.5 5.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -53.56 136.13 53.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 100.27 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.801 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? 46.48 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.31 -49.38 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -76.42 -4.33 41.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.702 HD13 ' HA3' ' A' ' 17' ' ' GLY . 53.8 mt -98.43 -32.41 11.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -42.79 -39.86 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 44.97 45.32 8.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.79 165.27 21.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.4 m -51.83 175.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 109.345 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.473 HG22 ' H ' ' A' ' 50' ' ' GLY . 4.8 mm -124.93 144.93 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -94.69 -22.02 18.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.473 ' H ' HG22 ' A' ' 48' ' ' ILE . . . 161.9 -176.82 38.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 1.088 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 8.4 m-85 -136.46 156.63 48.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.41 ' NE2' HG21 ' A' ' 68' ' ' ILE . 26.3 mt-30 -103.43 130.71 50.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.926 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.5 mp -111.39 100.75 11.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -102.29 136.34 12.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.664 ' CE1' HD22 ' A' ' 82' ' ' LEU . 4.0 p90 -152.85 145.56 24.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.576 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.51 158.51 37.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.06 145.9 34.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.11 31.38 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.5 147.89 91.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -4.3 15.2 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.448 1.762 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.14 40.71 0.93 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.82 149.55 25.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 0.744 . . . . 0.0 110.014 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -144.36 63.79 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -138.03 96.61 0.23 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 64' ' ' GLY . 78.0 mt-30 -37.49 127.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.576 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 10.3 m-85 -38.96 115.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.9 m -62.15 109.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.968 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.41 HG21 ' NE2' ' A' ' 52' ' ' GLN . 32.1 mm -88.02 138.36 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -128.35 116.49 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 71' ' ' MET . 1.6 tt0 -80.94 138.67 36.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.244 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.421 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 1.5 ppp? -147.1 -178.2 6.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -115.19 156.92 24.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.78 113.62 25.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 38.8 p -85.88 1.94 47.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 159.3 -147.16 14.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.68 -38.37 29.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 83.5 p -104.69 123.72 48.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.582 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 2.2 mp0 -117.98 157.69 26.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 34' ' ' VAL . 7.2 p -150.76 147.17 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -144.65 124.88 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 m -86.21 95.88 9.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.926 HD11 ' CG2' ' A' ' 53' ' ' ILE . 16.2 mt -75.38 106.37 6.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.93 178.13 5.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.453 ' O ' HD23 ' A' ' 85' ' ' LEU . 7.8 m-20 70.48 60.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 84' ' ' ASN . 13.8 mt -123.43 175.01 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.25 177.32 6.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 88' ' ' PHE . 10.4 mtmt -99.67 137.78 37.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 87' ' ' LYS . 7.7 t80 35.78 57.59 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.52 148.56 50.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -74.95 128.51 35.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -133.74 123.24 24.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.36 129.87 10.05 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.585 HG22 ' CB ' ' A' ' 55' ' ' TYR . 47.5 t -125.31 142.37 42.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.7 m -128.5 126.04 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.808 HG11 ' CD2' ' A' ' 36' ' ' TRP . 19.1 t -106.41 143.35 17.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -151.21 145.23 25.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 1.088 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.72 137.05 32.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 1.7 p90 -134.78 130.65 36.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.484 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 21.9 p30 -124.3 178.25 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -61.83 -23.17 66.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.484 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . . . -73.91 -26.1 60.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.252 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.405 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 150.38 -162.43 29.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.1 m -115.72 149.54 38.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -99.92 -179.39 30.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 164.58 32.96 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.0 p -93.28 162.56 13.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.478 ' OG ' HG11 ' A' ' 22' ' ' VAL . 2.2 p -93.52 166.87 12.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.48 ' O ' HG23 ' A' ' 110' ' ' ILE . 0.7 OUTLIER -40.61 125.86 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.985 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -57.71 85.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.85 HD13 HG12 ' A' ' 22' ' ' VAL . 28.6 pt -70.03 168.3 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.465 ' C ' HD12 ' A' ' 24' ' ' LEU . 1.4 p-10 -148.06 170.86 16.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -174.44 102.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 83.3 m -68.61 107.49 2.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.428 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.7 p -41.45 160.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 110.383 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.446 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER -51.3 176.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 116' ' ' GLU . 4.2 tp10 -92.43 -9.31 42.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.79 81.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -172.79 -176.6 41.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.461 1.101 . . . . 0.0 111.019 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.22 42.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.1 t -157.55 160.59 38.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.02 129.43 3.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -162.55 157.57 22.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -174.0 141.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.99 -167.49 11.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t -135.44 145.64 47.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.995 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.38 164.34 20.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.8 175.53 0.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.2 mt -103.86 118.65 51.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.4 p -179.32 114.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.553 HG22 ' O ' ' A' ' 10' ' ' THR . 1.1 m -88.57 12.02 15.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -179.44 127.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -104.41 -176.03 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.527 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . . . -154.28 144.69 22.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.61 153.39 0.47 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.446 ' CG ' ' O ' ' A' ' 97' ' ' ALA . 18.1 Cg_endo -75.06 150.95 38.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -120.27 59.43 0.9 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 166.52 141.97 3.3 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.14 29.85 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.471 1.774 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.56 22.36 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 45.7 mmm -107.03 176.61 5.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t70 50.22 26.49 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.36 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.27 107.12 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.476 ' HA ' HD12 ' A' ' 110' ' ' ILE . 14.0 t -152.74 164.88 36.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.018 ' CD2' HG22 ' A' ' 34' ' ' VAL . 48.1 mt -117.69 162.24 18.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.97 117.74 0.73 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 119.53 5.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.685 HG23 HG23 ' A' ' 28' ' ' THR . 1.8 m -102.21 -33.37 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.685 HG23 HG23 ' A' ' 27' ' ' VAL . 20.6 p -119.37 -150.99 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.29 -22.27 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -132.01 25.23 4.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -152.82 143.7 22.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.969 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.423 HD11 ' CG2' ' A' ' 114' ' ' THR . 83.3 mt -126.2 160.39 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -108.91 113.61 26.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.018 HG22 ' CD2' ' A' ' 24' ' ' LEU . 93.1 t -102.47 112.19 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.416 HG22 ' CG2' ' A' ' 79' ' ' VAL . 1.5 p -115.19 142.95 45.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.395 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.622 ' CD2' HG11 ' A' ' 95' ' ' VAL . 31.4 p90 -155.85 164.62 38.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -125.28 153.59 43.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.264 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.21 142.39 0.73 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 168.6 24.44 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.781 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.59 131.13 2.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -50.95 -47.37 61.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.35 -22.53 66.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.4 mt -106.72 52.59 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -121.71 -47.52 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 60.58 62.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.21 168.0 44.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 48' ' ' ILE . 84.2 t -52.29 164.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.628 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.2 mm -115.1 133.34 61.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -81.64 -30.25 32.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.417 ' C ' ' CD2' ' A' ' 98' ' ' PHE . . . 172.08 179.26 42.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.899 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.0 m-85 -132.13 137.94 47.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -85.0 144.2 28.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.839 ' CG2' HD11 ' A' ' 82' ' ' LEU . 5.4 mp -126.33 95.22 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' A' ' 93' ' ' VAL . . . -92.89 122.66 7.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.599 ' CD1' HD22 ' A' ' 82' ' ' LEU . 22.4 p90 -131.56 142.23 49.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 0.789 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.567 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.51 146.88 21.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -48.17 130.23 15.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -92.43 44.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.6 p -85.15 155.95 60.36 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 99.4 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.09 44.7 2.75 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.69 143.84 26.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.973 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -133.49 71.07 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' GLN . . . -142.57 98.51 0.22 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' GLY . 3.7 mp0 -37.73 128.56 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.567 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 12.7 m-85 -47.27 118.91 2.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.494 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 68.4 m -67.42 105.72 1.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 68' ' ' ILE . 34.0 mm -83.94 142.43 13.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -135.2 115.12 17.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -80.35 139.59 36.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.409 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -146.27 179.93 7.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' O ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -115.72 152.65 32.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.39 121.15 26.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.2 p -97.94 15.13 24.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.48 -159.71 27.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -69.6 -30.42 68.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 0.742 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.4 p -109.99 138.01 46.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.598 ' OE2' ' CE1' ' A' ' 51' ' ' TYR . 2.3 mp0 -135.56 157.21 47.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 34' ' ' VAL . 10.3 p -150.23 152.71 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -145.11 122.89 11.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.2 m -87.57 93.59 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.839 HD11 ' CG2' ' A' ' 53' ' ' ILE . 31.2 mt -75.51 106.93 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -103.2 -170.62 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 62.19 53.01 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.8 mt -115.74 -169.62 1.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.51 172.21 7.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -102.59 122.62 44.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.2 t80 57.9 62.2 2.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.1 143.21 25.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -76.66 140.51 40.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -139.71 134.18 31.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -111.63 119.51 5.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.143 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.646 HG13 HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -123.6 156.8 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.8 m -127.69 152.9 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.622 HG11 ' CD2' ' A' ' 36' ' ' TRP . 5.6 t -128.39 144.61 37.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -153.41 154.55 34.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.899 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.08 120.08 31.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.645 ' CB ' HG23 ' A' ' 103' ' ' THR . 0.5 OUTLIER -116.55 130.72 56.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.62 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 22.5 p30 -124.47 178.31 5.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -63.54 -16.55 61.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.62 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . . . -82.21 -26.04 33.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 99' ' ' ASN . . . 148.48 -167.06 29.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.645 HG23 ' CB ' ' A' ' 98' ' ' PHE . 2.3 m -114.34 145.31 41.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 110.398 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -91.22 -170.09 42.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.31 41.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.9 m -79.77 156.03 27.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.53 153.7 21.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.52 120.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.09 125.29 24.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -107.41 -163.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -150.64 154.46 37.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -165.06 93.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.9 m -63.28 116.52 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.423 ' CG2' HD11 ' A' ' 32' ' ' ILE . 11.3 p -53.46 145.1 15.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 24.7 mt -40.5 145.38 0.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.401 ' OE2' ' C ' ' A' ' 117' ' ' SER . 0.2 OUTLIER -74.89 -1.93 24.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.401 ' C ' ' OE2' ' A' ' 116' ' ' GLU . 12.5 t 63.96 119.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 177.79 177.55 46.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.433 1.083 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.12 40.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.473 1.775 . . . . 0.0 111.02 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.3 m -140.16 113.14 8.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.9 p 171.61 152.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.66 149.94 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 110.016 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.08 149.28 8.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.5 119.04 0.55 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.66 113.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.93 167.96 18.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.39 124.23 0.7 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.3 mt 42.5 76.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.26 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -170.74 97.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.955 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.1 t -178.79 146.33 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.443 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 11' ' ' GLU . 0.3 OUTLIER 64.82 106.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -117.42 171.15 8.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 45' ' ' ASN . . . -133.73 146.27 50.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -62.8 157.63 58.14 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 150.61 38.59 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.33 29.38 7.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.99 147.69 11.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 173.29 14.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 168.52 24.63 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.442 1.759 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.6 mmm -109.75 175.35 5.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t0 51.15 30.02 5.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.655 HG11 ' OG ' ' A' ' 107' ' ' SER . 61.0 t -74.9 109.77 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -148.34 155.67 41.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.353 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.663 HD22 HG22 ' A' ' 34' ' ' VAL . 70.9 mt -111.29 161.39 16.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.478 ' C ' HG23 ' A' ' 32' ' ' ILE . 2.4 tt0 -165.9 117.61 0.84 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.766 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.65 HG23 HG23 ' A' ' 28' ' ' THR . 3.2 m -96.91 -34.22 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.65 HG23 HG23 ' A' ' 27' ' ' VAL . 31.0 p -125.88 -162.34 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.412 ' HB2' ' CA ' ' A' ' 118' ' ' GLY . 19.4 t -89.51 -35.75 15.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.42 ' C ' ' OG ' ' A' ' 31' ' ' SER . 79.0 mt-30 -124.37 54.37 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.554 ' HA ' HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -176.99 151.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.478 HG23 ' C ' ' A' ' 25' ' ' GLN . 85.9 mt -140.77 150.01 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -99.0 118.27 35.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.663 HG22 HD22 ' A' ' 24' ' ' LEU . 17.6 t -107.29 109.17 27.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.6 HG23 HG23 ' A' ' 79' ' ' VAL . 0.7 OUTLIER -117.62 128.74 55.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 110.414 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.875 ' CD2' HG11 ' A' ' 95' ' ' VAL . 30.9 p90 -144.01 160.76 40.29 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -111.47 161.12 16.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.64 148.86 1.6 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.02 174.1 13.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.1 OUTLIER -38.57 134.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -60.73 -53.72 53.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -58.93 -20.23 50.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.3 mt -110.89 49.36 0.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -106.29 -31.59 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.45 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . 81.0 m-20 41.3 59.99 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.5 155.12 19.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 48' ' ' ILE . 55.6 t -43.86 163.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.853 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.2 mm -105.13 125.53 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.082 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.475 ' CD ' ' HG3' ' A' ' 100' ' ' ARG . 0.7 OUTLIER -72.69 -46.66 52.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.63 ' HA2' ' HB2' ' A' ' 73' ' ' ALA . . . -171.58 174.92 45.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.885 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 8.2 m-85 -130.05 164.27 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.433 ' C ' HD12 ' A' ' 53' ' ' ILE . 21.6 mt-30 -119.3 137.86 53.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.842 ' CG2' HD11 ' A' ' 82' ' ' LEU . 3.9 mp -115.57 102.19 13.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 93' ' ' VAL . . . -96.35 125.99 8.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.687 ' CE1' HD22 ' A' ' 82' ' ' LEU . 17.9 p90 -145.16 147.39 32.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.572 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.54 158.46 37.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -61.49 148.94 40.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.264 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -93.25 23.96 4.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.402 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 0.4 OUTLIER -49.83 155.19 1.56 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.013 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 93.64 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 111.043 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.05 41.02 12.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.44 148.17 45.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -121.05 72.16 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.48 94.32 0.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -40.59 124.54 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 110.319 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 7.8 m-85 -39.38 116.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.8 m -62.52 106.04 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.049 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.444 HD13 ' HA ' ' A' ' 68' ' ' ILE . 25.7 mm -85.28 137.97 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -140.3 113.02 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.601 ' CD ' ' CZ ' ' A' ' 98' ' ' PHE . 4.3 tt0 -87.95 139.61 30.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.419 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 1.7 ppp? -133.37 -177.37 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.419 ' O ' ' SD ' ' A' ' 71' ' ' MET . 2.8 mttm -88.4 147.33 24.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.63 ' HB2' ' HA2' ' A' ' 50' ' ' GLY . . . -104.41 118.1 35.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.638 HG23 ' OE1' ' A' ' 78' ' ' GLU . 17.1 p -66.17 -47.22 74.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.393 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 76' ' ' ASP . . . 112.24 59.42 0.44 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 2.7 m-20 155.91 -44.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.411 ' O ' ' CD ' ' A' ' 78' ' ' GLU . 52.9 p -145.39 152.81 40.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.045 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.638 ' OE1' HG23 ' A' ' 74' ' ' THR . 21.3 mm-40 -144.44 151.78 39.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.6 HG23 HG23 ' A' ' 35' ' ' THR . 10.9 p -154.16 146.48 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -147.01 123.17 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.0 m -89.23 96.79 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.386 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.842 HD11 ' CG2' ' A' ' 53' ' ' ILE . 32.4 mt -74.88 123.28 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 5.7 p30 -122.54 167.69 13.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.534 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 5.7 m120 84.57 44.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.762 ' N ' HD12 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -99.63 -163.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.19 -175.03 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -108.98 112.58 24.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.562 ' CE1' ' HG2' ' A' ' 116' ' ' GLU . 7.7 t80 57.19 63.07 1.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.2 155.65 43.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -75.53 140.86 43.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 2.9 m-85 -139.03 134.58 33.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -125.71 123.08 4.77 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.628 HG22 HD21 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -120.41 164.21 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.757 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.4 m -140.34 120.94 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.875 HG11 ' CD2' ' A' ' 36' ' ' TRP . 15.1 t -96.37 147.43 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -151.94 144.17 23.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.246 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.885 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.5 135.53 33.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.601 ' CZ ' ' CD ' ' A' ' 70' ' ' GLU . 1.0 OUTLIER -133.04 138.24 46.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.958 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 99' ' ' ASN . 0.5 OUTLIER -124.39 178.02 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.475 ' HG3' ' CD ' ' A' ' 49' ' ' ARG . 1.9 mtt-85 -59.35 -22.7 61.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.417 ' HB3' ' N ' ' A' ' 14' ' ' ALA . . . -74.92 -26.01 59.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 147.98 -153.03 25.03 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.4 m -121.5 156.88 31.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 110.368 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.63 -168.06 19.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 161.43 38.76 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.69 164.94 12.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.655 ' OG ' HG11 ' A' ' 22' ' ' VAL . 57.5 p -83.99 159.19 21.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.18 121.59 5.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -55.79 125.85 23.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.619 HG22 ' H ' ' A' ' 111' ' ' ASN . 0.8 OUTLIER -105.12 -162.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.338 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.619 ' H ' HG22 ' A' ' 110' ' ' ILE . 12.1 p-10 -150.85 153.72 35.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.35 90.08 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 83.6 m -65.51 108.27 1.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 54.6 p -45.87 149.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 68.7 mt -46.87 160.3 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.562 ' HG2' ' CE1' ' A' ' 88' ' ' PHE . 8.1 mt-10 -79.98 2.22 24.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 51.6 p -178.07 162.41 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 29' ' ' SER . . . -86.81 140.44 17.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -61.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.1 m 59.74 89.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 61.3 p -116.62 169.75 9.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.942 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.85 157.5 4.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m 60.95 157.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.76 112.14 0.4 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -73.41 153.17 40.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.2 p -94.54 149.97 20.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.35 102.48 1.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.1 mt -63.24 104.79 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.2 p -171.91 84.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 10' ' ' THR . 21.4 m -89.83 16.54 7.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -126.62 95.89 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.64 170.29 10.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.578 ' C ' ' HB1' ' A' ' 101' ' ' ALA . . . -137.68 147.45 44.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.9 159.81 0.21 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 153.4 41.75 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -124.76 60.56 1.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 170.77 128.03 0.99 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.07 17.08 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.486 1.782 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.07 23.43 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.498 1.788 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.71 177.86 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.4 t0 47.57 34.14 3.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.538 HG12 HD11 ' A' ' 110' ' ' ILE . 38.8 t -78.24 106.41 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -147.39 160.5 42.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.975 ' CD2' HG22 ' A' ' 34' ' ' VAL . 52.5 mt -110.33 163.46 13.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -164.83 118.29 0.97 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.591 HG23 HG23 ' A' ' 28' ' ' THR . 2.8 m -101.14 -38.13 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.591 HG23 HG23 ' A' ' 27' ' ' VAL . 44.2 p -120.12 -148.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -109.16 -24.37 11.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -128.6 44.34 2.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 9.3 t -168.87 165.24 11.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.401 HD11 HG23 ' A' ' 114' ' ' THR . 44.9 mt -151.62 146.76 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -99.01 117.89 34.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.975 HG22 ' CD2' ' A' ' 24' ' ' LEU . 44.8 t -106.36 108.5 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.472 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.1 p -110.27 137.47 47.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.453 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.889 ' CD2' HG11 ' A' ' 95' ' ' VAL . 28.0 p90 -148.31 163.64 36.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt -119.45 170.59 9.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -47.76 144.03 5.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 173.26 14.81 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.44 ' CB ' ' HB2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -41.02 137.38 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -69.11 -46.84 66.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -73.16 -2.71 22.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.44 ' HB2' ' CB ' ' A' ' 40' ' ' LYS . 40.7 mt -113.61 42.65 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -122.78 95.99 4.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -84.09 51.0 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 112.76 153.56 11.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 p -41.73 160.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 0.766 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.491 HG21 ' CZ ' ' A' ' 51' ' ' TYR . 2.8 mm -104.08 150.78 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.67 -25.16 9.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.442 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 173.07 178.02 42.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 1.028 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.5 m-85 -135.18 132.66 38.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.636 ' C ' HD12 ' A' ' 53' ' ' ILE . 12.2 mm-40 -80.26 157.12 26.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.636 HD12 ' C ' ' A' ' 52' ' ' GLN . 4.3 mp -134.31 105.16 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.434 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -103.73 134.51 11.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.502 ' HB2' HG22 ' A' ' 93' ' ' VAL . 19.1 p90 -153.15 145.19 23.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.632 ' CD ' ' CE1' ' A' ' 66' ' ' TYR . 0.5 OUTLIER -156.4 151.07 25.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 5.1 tt0 -55.78 118.24 4.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -89.12 44.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.9 m -118.87 154.78 53.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.019 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 59.61 5.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.459 1.768 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.84 45.52 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t -110.09 -167.79 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 0.795 . . . . 0.0 110.032 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -88.66 -46.28 9.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.29 -81.6 0.34 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -38.6 132.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 0.797 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.632 ' CE1' ' CD ' ' A' ' 56' ' ' ARG . 8.9 m-85 -82.14 131.06 35.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.1 m -71.99 108.15 5.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.54 ' CG2' ' CD ' ' A' ' 52' ' ' GLN . 28.0 mm -91.83 139.13 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.573 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -135.36 114.03 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 71' ' ' MET . 2.2 tm-20 -79.92 146.32 32.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 2.8 ppp? -150.36 -176.57 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.538 ' HD2' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -114.52 154.98 27.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.05 105.86 17.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.538 HG22 ' HD2' ' A' ' 72' ' ' LYS . 9.6 p -80.95 2.25 27.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.38 -166.13 36.39 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -44.96 92.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 0.731 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.0 p -94.18 134.73 36.33 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.421 ' HB2' ' NE1' ' A' ' 36' ' ' TRP . 71.7 mm-40 -132.08 153.57 50.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.472 HG23 ' CG2' ' A' ' 35' ' ' THR . 14.5 p -146.67 148.63 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -145.98 122.69 11.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.0 m -88.95 98.44 11.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.419 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.552 HD21 ' CG2' ' A' ' 53' ' ' ILE . 18.6 mt -74.22 106.63 5.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.1 OUTLIER -99.08 171.09 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.443 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.8 OUTLIER 75.86 59.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 84' ' ' ASN . 12.0 mt -122.95 -179.37 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.88 167.75 11.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 88' ' ' PHE . 4.3 mttp -82.64 134.73 35.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.651 ' CD1' HG22 ' A' ' 113' ' ' THR . 7.1 t80 32.75 65.82 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.44 143.52 48.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -73.92 113.16 10.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 9.6 m-85 -120.43 123.94 44.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.58 131.19 10.61 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.948 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.556 ' HB ' HD21 ' A' ' 24' ' ' LEU . 42.3 t -122.81 154.04 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.1 m -143.74 118.76 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.889 HG11 ' CD2' ' A' ' 36' ' ' TRP . 7.5 t -99.87 148.03 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' GLN . 1.6 pt20 -153.58 143.56 22.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 1.028 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.09 128.99 37.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.813 ' HB3' HG23 ' A' ' 103' ' ' THR . 7.3 p90 -125.32 136.37 53.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.458 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 16.6 p30 -124.31 177.44 5.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -57.9 -23.38 52.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.578 ' HB1' ' C ' ' A' ' 13' ' ' ALA . . . -73.73 -22.45 59.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.09 -157.61 27.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.155 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.813 HG23 ' HB3' ' A' ' 98' ' ' PHE . 9.8 m -114.37 144.22 43.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 110.417 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.88 177.53 49.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 155.93 42.7 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 19.4 p -73.31 153.32 40.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 p -82.93 173.91 11.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.25 114.52 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -48.89 133.57 17.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.238 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.538 HD11 HG12 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -126.07 -174.41 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -152.36 161.53 42.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.462 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -171.54 97.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.651 HG22 ' CD1' ' A' ' 88' ' ' PHE . 31.9 m -65.1 114.48 4.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.401 HG23 HD11 ' A' ' 32' ' ' ILE . 7.3 p -48.68 177.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.401 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 43.8 mt -76.58 143.13 40.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 117' ' ' SER . 0.2 OUTLIER -94.23 -3.58 50.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.457 ' N ' ' OE1' ' A' ' 116' ' ' GLU . 33.2 t -179.83 133.2 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.979 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 64.71 154.35 0.13 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -168.72 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.793 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.35 108.17 19.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.21 103.31 12.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.036 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.51 -54.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 0.764 . . . . 0.0 110.028 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m 60.81 117.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.975 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.03 -152.64 29.43 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -127.34 159.6 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 0.724 . . . . 0.0 110.043 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.31 -59.43 1.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 110.039 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.22 121.98 2.94 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 67.5 mt 58.15 107.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 109.361 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -163.29 86.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.986 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 11' ' ' GLU . 6.2 t -176.25 151.02 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 10' ' ' THR . 4.0 pt-20 33.71 67.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -92.95 153.67 18.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.17 142.52 50.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.44 152.94 2.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 138.01 22.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.552 1.817 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -109.68 49.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' A' ' 18' ' ' PRO . . . 171.41 143.39 4.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 111.047 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -74.97 174.19 13.2 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.75 21.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.525 1.803 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -110.34 162.78 14.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t70 59.5 46.31 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.66 HG11 ' OG ' ' A' ' 107' ' ' SER . 9.8 t -86.18 105.7 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.412 ' C ' HD13 ' A' ' 24' ' ' LEU . 4.7 t -149.9 152.03 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.979 HD12 HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -107.62 154.49 21.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.28 115.46 3.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 110.94 3.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.644 HG23 HG23 ' A' ' 28' ' ' THR . 2.8 m -95.48 -33.39 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.644 HG23 HG23 ' A' ' 27' ' ' VAL . 44.0 p -120.69 -150.32 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.435 ' CB ' ' HD3' ' A' ' 87' ' ' LYS . 1.7 m -114.08 -13.94 12.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.038 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -135.66 35.2 2.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -162.25 163.87 27.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.955 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.436 HG21 ' HB3' ' A' ' 24' ' ' LEU . 50.2 mt -148.85 139.71 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -92.8 113.04 25.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.979 HG22 HD12 ' A' ' 24' ' ' LEU . 92.1 t -102.39 109.93 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.551 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.4 p -112.33 141.31 46.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.411 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.524 ' CD2' HG11 ' A' ' 95' ' ' VAL . 29.8 p90 -155.61 164.64 38.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 107.987 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -122.42 167.3 13.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.17 145.48 2.59 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -74.99 -175.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.779 ' HB2' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -39.26 139.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.4 ' HA ' ' NE2' ' A' ' 44' ' ' GLN . 7.3 tptt -65.83 -51.92 54.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -88.46 46.75 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.779 HD12 ' HB2' ' A' ' 40' ' ' LYS . 15.9 mt -147.05 -44.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 43' ' ' LEU . 4.1 mt-30 -33.06 -45.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 60.14 56.75 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.49 -177.09 23.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.516 HG22 ' H ' ' A' ' 48' ' ' ILE . 9.1 p -67.76 171.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.902 HG21 ' CE1' ' A' ' 51' ' ' TYR . 6.7 mm -121.33 130.26 74.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -36.12 33.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.436 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 176.7 174.31 43.05 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.965 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 6.0 m-85 -128.64 145.14 51.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.787 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -95.07 132.89 39.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.856 ' CG2' HD11 ' A' ' 82' ' ' LEU . 4.0 mp -112.89 96.36 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.487 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -90.5 127.88 9.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.641 ' HB2' HG12 ' A' ' 93' ' ' VAL . 41.0 p90 -144.63 145.89 32.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 0.0 110.999 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -156.07 152.8 28.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -71.62 148.24 46.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -99.71 34.21 2.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.8 p -114.05 156.25 44.31 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 82.25 2.04 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.69 44.71 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 t -88.4 175.36 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -41.33 -50.16 3.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.59 -80.34 0.23 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.27 144.69 31.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 0.746 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 12.8 m-85 -39.24 115.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.9 m -63.84 107.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.487 HD13 ' CA ' ' A' ' 54' ' ' GLY . 31.2 mm -85.66 151.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.675 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -143.19 116.86 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 71' ' ' MET . 4.4 tt0 -80.71 139.78 35.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.425 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -147.19 178.81 8.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.667 ' NZ ' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -121.07 147.53 45.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.02 118.51 20.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.667 HG22 ' NZ ' ' A' ' 72' ' ' LYS . 6.5 p -99.04 24.57 7.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.401 ' O ' ' OE2' ' A' ' 78' ' ' GLU . . . 141.22 -150.54 21.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -77.76 -45.96 23.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.6 p -97.6 144.03 27.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' A' ' 75' ' ' GLY . 23.7 mm-40 -136.06 158.86 43.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.551 HG23 ' CG2' ' A' ' 35' ' ' THR . 12.3 p -150.49 149.02 14.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.15 120.19 9.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.5 m -88.29 94.36 9.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.856 HD11 ' CG2' ' A' ' 53' ' ' ILE . 32.8 mt -70.34 106.96 3.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.6 -175.46 3.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.476 ' O ' HD23 ' A' ' 85' ' ' LEU . 44.8 m-20 61.35 61.5 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 84' ' ' ASN . 17.7 mt -122.23 -177.68 3.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.54 162.44 13.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.435 ' HD3' ' CB ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -83.29 130.61 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 9.1 t80 38.05 72.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.41 144.4 29.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -74.84 128.48 35.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 57' ' ' GLU . 5.7 m-85 -128.75 135.55 49.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.11 113.14 2.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.488 1.118 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.641 HG12 ' HB2' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -115.96 159.99 15.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.409 ' CG1' ' HB2' ' A' ' 109' ' ' GLU . 1.4 m -135.47 129.15 49.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.524 HG11 ' CD2' ' A' ' 36' ' ' TRP . 6.9 t -101.74 148.05 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -153.11 145.86 24.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.965 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.65 121.36 33.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -117.48 134.28 55.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.56 178.38 5.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -67.69 -24.24 65.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.91 -25.79 59.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.87 -174.13 30.24 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.427 HG23 ' CB ' ' A' ' 98' ' ' PHE . 7.2 m -108.05 147.86 30.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.76 . . . . 0.0 110.373 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -98.5 -169.84 31.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.514 1.133 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.21 29.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.3 p -96.62 168.51 10.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.66 ' OG ' HG11 ' A' ' 22' ' ' VAL . 51.9 p -97.7 162.98 13.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.931 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.89 119.23 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.409 ' HB2' ' CG1' ' A' ' 94' ' ' VAL . 4.6 tt0 -65.97 112.68 3.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.718 HD13 HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -89.94 -163.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.445 ' H ' HG22 ' A' ' 110' ' ' ILE . 11.4 p-10 -152.71 136.83 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.518 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -146.38 100.94 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.7 m -69.77 121.66 17.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 18.4 p -52.59 -174.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.9 mt -95.21 159.51 14.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.35 -3.04 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.7 t -163.49 133.94 4.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -47.61 142.83 6.68 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -51.87 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.042 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.0 m -46.05 142.27 2.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.1 t -168.1 124.37 1.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.0 135.72 2.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 0.738 . . . . 0.0 109.989 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.75 168.64 17.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.76 147.14 18.14 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.137 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -153.21 136.41 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.73 125.04 49.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.44 112.02 3.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.024 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.525 ' H ' HD12 ' A' ' 8' ' ' ILE . 4.7 mp -86.99 133.99 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.77 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.539 ' C ' HG22 ' A' ' 10' ' ' THR . 38.3 t -128.51 -135.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.968 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.539 HG22 ' C ' ' A' ' 9' ' ' SER . 0.0 OUTLIER 170.18 137.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 60.84 104.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -95.2 -176.89 3.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.138 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.98 152.2 49.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -59.17 161.27 9.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.0 135.73 19.45 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -108.88 60.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.59 142.17 3.39 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 172.96 15.33 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.486 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 18.4 Cg_endo -75.03 158.12 42.27 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.543 1.812 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 43.9 mtp -98.97 178.4 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t70 50.65 28.24 3.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.851 HG11 ' OG ' ' A' ' 107' ' ' SER . 41.4 t -72.13 111.15 5.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 t -153.83 151.97 30.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.009 ' CD2' HG22 ' A' ' 34' ' ' VAL . 50.1 mt -106.6 163.98 12.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -166.64 118.11 0.77 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.23 2.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 m -91.52 -33.75 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.431 ' OG1' ' CB ' ' A' ' 31' ' ' SER . 1.2 p -124.52 -168.32 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.9 p -100.16 1.81 42.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -147.07 26.31 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.431 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.0 OUTLIER -154.26 168.94 24.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.96 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 81' ' ' THR . 55.8 mt -152.39 136.82 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -89.71 132.56 35.12 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.148 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.009 HG22 ' CD2' ' A' ' 24' ' ' LEU . 95.5 t -124.16 104.69 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.537 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.2 p -109.98 140.51 43.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.75 ' CD2' HG11 ' A' ' 95' ' ' VAL . 33.5 p90 -150.89 164.93 35.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 107.995 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -117.17 162.77 17.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.14 136.3 8.63 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 98.39 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.528 ' HB2' HD12 ' A' ' 43' ' ' LEU . 6.0 mptp? 48.54 -169.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -117.01 -47.18 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -85.05 10.83 10.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.528 HD12 ' HB2' ' A' ' 40' ' ' LYS . 20.0 mt -104.2 -36.0 7.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -38.3 -35.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 1.1 m-20 64.02 22.21 12.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.565 ' O ' ' CG1' ' A' ' 47' ' ' VAL . . . 112.98 68.02 0.51 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.554 1.158 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.59 HG22 ' N ' ' A' ' 48' ' ' ILE . 8.5 p 48.43 172.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.59 ' N ' HG22 ' A' ' 47' ' ' VAL . 4.8 mm -123.03 140.36 46.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.8 -37.65 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.444 ' HA3' ' CZ ' ' A' ' 98' ' ' PHE . . . -172.59 174.56 45.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE1' ' OE2' ' A' ' 78' ' ' GLU . 6.7 m-85 -126.19 173.15 9.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.508 ' C ' HD12 ' A' ' 53' ' ' ILE . 13.5 mt-30 -134.13 132.33 39.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.839 HG21 HD21 ' A' ' 82' ' ' LEU . 3.5 mp -114.72 109.82 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.423 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -105.31 116.04 5.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.769 ' CB ' HG22 ' A' ' 93' ' ' VAL . 21.7 p90 -135.73 146.99 48.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.6 143.68 18.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 1.1 tt0 -50.46 122.97 7.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 1.2 t-20 -88.83 44.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.75 159.33 46.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 78.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 136.23 50.46 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.2 t -93.51 -173.29 3.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.019 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.59 -60.81 2.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 157.25 -76.02 0.21 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -96.77 173.4 7.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.571 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 13.6 m-85 -80.46 122.31 26.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 m -69.47 111.32 5.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.973 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.423 HD13 ' CA ' ' A' ' 54' ' ' GLY . 36.9 mm -90.13 139.77 17.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -127.77 119.56 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.53 135.39 36.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.409 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 1.7 ppp? -144.37 -179.26 6.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.1 OUTLIER -118.94 149.27 41.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.46 105.92 6.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.8 p -60.54 -38.02 83.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 179.05 -130.47 1.54 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.51 -28.28 56.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.7 p -125.29 145.91 49.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.977 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.585 ' OE2' ' CE1' ' A' ' 51' ' ' TYR . 8.4 mp0 -135.69 158.31 44.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.537 HG23 ' CG2' ' A' ' 35' ' ' THR . 14.9 p -150.08 147.79 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.557 ' CE1' HD13 ' A' ' 82' ' ' LEU . 3.0 t80 -145.41 127.51 15.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 15.9 m -103.22 102.91 12.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.839 HD21 HG21 ' A' ' 53' ' ' ILE . 2.6 mm? -73.31 107.17 5.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -89.86 179.12 6.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.422 ' O ' HD23 ' A' ' 85' ' ' LEU . 82.8 m-20 60.81 61.39 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 84' ' ' ASN . 56.6 mt -122.79 174.14 7.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.19 -175.95 6.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -114.22 130.75 56.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.6 t80 48.05 55.53 8.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.51 145.28 50.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 5.9 tt0 -74.28 118.38 17.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.515 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 1.5 m-85 -125.55 129.52 49.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.47 135.65 12.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.769 HG22 ' CB ' ' A' ' 55' ' ' TYR . 21.6 t -133.07 152.78 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 0.791 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.1 m -137.73 119.8 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.75 HG11 ' CD2' ' A' ' 36' ' ' TRP . 17.4 t -92.56 145.68 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -152.95 140.64 19.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.514 ' HB1' HG21 ' A' ' 48' ' ' ILE . . . -91.39 132.18 36.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 98' ' ' PHE . 0.8 OUTLIER -124.62 137.82 54.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.435 ' N ' ' OD1' ' A' ' 99' ' ' ASN . 0.1 OUTLIER -123.42 178.33 5.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -64.02 -26.69 68.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.72 -25.94 61.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.9 -171.57 29.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 34.6 m -105.06 148.09 27.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -101.23 -171.71 28.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.556 1.16 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 157.76 42.7 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 m -99.22 165.81 11.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.851 ' OG ' HG11 ' A' ' 22' ' ' VAL . 80.0 p -80.29 166.82 20.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.8 p -50.58 155.88 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -79.68 117.69 20.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.655 HD11 HG12 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -109.38 -172.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 91' ' ' TYR . 18.4 m-80 -152.62 165.21 35.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.613 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -164.38 69.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.0 m -39.31 113.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.8 p -48.26 176.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 33.3 mt -83.65 149.85 26.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 116' ' ' GLU . 15.4 tt0 -96.51 -0.95 48.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.1 m 61.35 120.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -155.21 -168.2 18.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.38 5.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.82 170.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.08 -58.0 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.85 157.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -174.7 166.94 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.96 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.14 133.76 6.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.91 83.07 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.2 163.72 17.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.47 163.99 26.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.137 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.8 pt -94.09 37.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.337 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 65.11 32.76 10.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.721 HG23 ' N ' ' A' ' 11' ' ' GLU . 9.5 t -119.9 -146.29 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.721 ' N ' HG23 ' A' ' 10' ' ' THR . 8.2 mt-10 44.61 88.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -97.03 178.42 5.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.436 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . . . -126.62 150.88 48.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -53.65 160.39 2.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 150.97 38.68 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -122.52 42.5 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.62 135.72 2.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.28 18.63 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 164.11 33.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.4 mmm -107.28 172.31 6.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 t70 54.78 36.24 25.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.719 HG12 HD11 ' A' ' 110' ' ' ILE . 48.9 t -80.58 111.88 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.7 t -151.98 158.51 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.96 ' CD2' HG22 ' A' ' 34' ' ' VAL . 48.0 mt -108.59 165.47 11.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -167.18 118.29 0.73 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.276 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HB2' ' CD2' ' A' ' 115' ' ' LEU . 18.2 Cg_endo -75.0 115.63 4.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.489 1.784 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.0 m -100.77 -31.5 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.526 ' HG1' ' CB ' ' A' ' 31' ' ' SER . 74.7 p -125.93 -163.79 1.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.0 m -95.49 -23.0 17.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -133.87 39.89 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.526 ' CB ' ' HG1' ' A' ' 28' ' ' THR . 0.5 OUTLIER -164.65 137.79 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.589 HD11 HG22 ' A' ' 114' ' ' THR . 87.8 mt -124.68 146.55 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -98.77 134.61 41.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.96 HG22 ' CD2' ' A' ' 24' ' ' LEU . 72.3 t -124.18 113.52 37.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.547 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.1 p -114.96 141.36 48.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.808 ' CD2' HG11 ' A' ' 95' ' ' VAL . 17.7 p90 -152.14 158.73 43.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 107.993 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . 19.7 mtpt -114.32 158.65 21.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 76' ' ' ASP . . . -39.91 141.62 0.76 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 171.71 17.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 110.996 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -38.0 132.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -60.68 -54.34 46.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -62.13 -21.11 64.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -110.67 51.14 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -106.34 -53.08 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 14' ' ' ALA . 2.1 m120 70.41 59.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.591 1.182 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 75.47 161.49 9.84 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 48' ' ' ILE . 53.6 t -42.96 161.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.777 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.4 mm -106.44 132.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -82.74 -27.9 30.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.433 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 173.63 -173.58 45.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.903 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 28.6 m-85 -141.69 162.29 35.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.562 ' C ' HD12 ' A' ' 53' ' ' ILE . 45.6 mt-30 -112.34 149.96 31.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.887 HG21 HD21 ' A' ' 82' ' ' LEU . 4.6 mp -130.82 95.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.46 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -89.41 115.0 4.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.493 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 24.0 p90 -129.92 142.51 50.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.645 ' NE ' ' CE1' ' A' ' 66' ' ' TYR . 8.1 ptt180 -157.01 148.78 22.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.492 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 7.2 tt0 -56.27 118.19 4.5 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -94.54 44.59 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.03 167.0 35.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.003 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 88.03 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.12 40.99 0.72 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.98 163.17 14.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -178.67 37.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 65' ' ' GLN . . . -99.92 22.59 39.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 64' ' ' GLY . 0.0 OUTLIER 52.33 171.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.645 ' CE1' ' NE ' ' A' ' 56' ' ' ARG . 24.7 m-85 -90.28 117.96 29.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.5 m -71.43 106.38 3.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.978 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.46 HD13 ' CA ' ' A' ' 54' ' ' GLY . 20.4 mm -82.99 144.63 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -143.56 112.59 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -84.19 138.38 33.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -141.74 -177.82 5.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' O ' ' SD ' ' A' ' 71' ' ' MET . 4.4 mttm -95.87 154.78 17.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.078 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.25 97.27 11.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 74.2 p -47.93 -37.61 14.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.38 -132.99 2.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.9 m-20 -66.08 -37.54 86.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.5 p -120.22 145.16 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.598 ' OE1' ' CD1' ' A' ' 51' ' ' TYR . 1.3 mp0 -131.79 156.56 45.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.547 HG23 ' CG2' ' A' ' 35' ' ' THR . 12.8 p -146.0 146.35 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.522 ' CE1' HD13 ' A' ' 82' ' ' LEU . 6.3 t80 -146.53 138.15 24.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 15.5 m -108.0 106.44 16.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.887 HD21 HG21 ' A' ' 53' ' ' ILE . 2.9 mm? -78.74 106.17 10.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.04 -176.22 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.088 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 61.58 46.28 7.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.513 HD11 ' O ' ' A' ' 82' ' ' LEU . 38.6 mt -108.14 166.98 10.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 1.8 tttt -77.96 -170.13 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -121.22 138.13 54.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.5 t80 45.61 36.6 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.403 ' HB3' ' HB3' ' A' ' 86' ' ' LYS . . . -122.17 143.91 49.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.45 ' NE2' ' OD1' ' A' ' 111' ' ' ASN . 43.8 tt0 -74.62 133.43 42.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.492 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 5.8 m-85 -133.08 128.37 36.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.81 124.55 7.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.493 ' HB ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -132.68 161.2 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 0.787 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 21.8 m -131.23 173.33 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.808 HG11 ' CD2' ' A' ' 36' ' ' TRP . 19.3 t -144.25 140.39 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -146.81 149.66 33.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.903 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.0 129.66 36.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.609 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.7 OUTLIER -125.25 132.23 52.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -124.41 177.01 6.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.47 -23.14 56.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.436 ' HB1' ' HA ' ' A' ' 13' ' ' ALA . . . -74.0 -24.37 59.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 145.78 -155.21 26.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.451 HG23 ' CB ' ' A' ' 98' ' ' PHE . 6.6 m -119.74 152.76 36.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 110.395 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -100.35 -172.55 29.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 160.01 40.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.974 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.4 p -76.02 169.5 18.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.57 ' OG ' HG11 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -102.37 159.66 15.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.86 117.58 1.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 110.035 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.67 145.19 40.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.719 HD11 HG12 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -134.78 -174.0 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.45 ' OD1' ' NE2' ' A' ' 90' ' ' GLN . 23.9 m-80 -153.33 146.9 25.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.612 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -151.77 87.65 1.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.7 m -58.94 105.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.589 HG22 HD11 ' A' ' 32' ' ' ILE . 80.9 p -41.18 155.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.491 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -48.09 174.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.259 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 116' ' ' GLU . 16.1 tt0 -94.55 -2.51 51.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 41.2 m 52.56 96.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -129.82 -163.62 11.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 63.58 6.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t 39.44 90.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.9 m -93.33 115.76 28.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.01 163.33 40.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 0.735 . . . . 0.0 109.999 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.0 151.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.05 -166.53 29.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.3 m -160.32 -58.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 0.739 . . . . 0.0 110.039 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 p -135.96 165.15 26.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.24 103.52 0.45 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.125 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.471 ' N ' HD12 ' A' ' 8' ' ' ILE . 4.9 mp -98.5 136.92 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 m 63.19 85.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.582 HG22 ' O ' ' A' ' 10' ' ' THR . 16.6 m -93.81 16.23 14.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -121.89 93.16 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -97.89 -178.24 4.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.62 144.86 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.47 155.83 0.7 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 131.7 14.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -103.5 56.25 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 168.39 138.28 2.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.135 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 172.85 15.54 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HG3' HG12 ' A' ' 95' ' ' VAL . 18.3 Cg_endo -74.93 160.26 40.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.4 mtp -106.26 178.67 4.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 t0 51.84 31.19 7.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.504 HG12 HD11 ' A' ' 110' ' ' ILE . 44.1 t -75.08 107.0 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.4 t -139.8 154.79 47.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 HG22 ' A' ' 34' ' ' VAL . 7.6 mt -117.16 158.92 23.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -164.4 121.92 1.16 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 118.94 5.44 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.626 HG23 HG23 ' A' ' 28' ' ' THR . 5.0 m -105.61 -40.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.626 HG23 HG23 ' A' ' 27' ' ' VAL . 54.0 p -119.55 178.9 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.375 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 m -82.2 -22.63 35.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -129.29 48.6 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.501 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.2 OUTLIER -177.51 170.01 2.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' THR . 50.5 mt -152.39 159.75 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -104.3 124.96 50.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.811 ' O ' HG23 ' A' ' 79' ' ' VAL . 41.8 t -117.56 118.71 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.73 140.36 52.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.533 ' CH2' HD11 ' A' ' 53' ' ' ILE . 30.8 p90 -154.23 161.98 41.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.019 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.2 mtpt -116.93 172.88 6.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -52.58 137.2 42.73 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.01 98.79 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.4 -168.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -118.99 -47.55 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -76.17 -12.1 60.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.14 -20.52 18.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -51.3 -26.97 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 41.37 42.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.95 174.52 24.53 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.9 m -54.71 176.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 0.732 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.554 HG21 ' CE1' ' A' ' 51' ' ' TYR . 6.4 mm -125.6 145.46 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.29 -25.76 14.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.442 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 168.07 -178.12 41.94 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 1.056 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 10.3 m-85 -136.21 153.57 51.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.425 ' C ' HD12 ' A' ' 53' ' ' ILE . 45.8 mt-30 -105.09 135.48 46.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.906 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.3 mp -119.31 111.47 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.419 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -104.79 127.96 9.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 67' ' ' SER . 39.1 p90 -135.81 139.06 43.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 0.771 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -154.49 138.77 16.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -43.4 131.07 4.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.264 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -94.83 39.83 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.83 151.4 43.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 88.41 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.544 1.813 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.44 35.31 1.1 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.4 t -82.32 176.6 9.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.738 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -55.35 -59.65 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.54 -58.55 0.58 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -45.25 130.06 8.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 19.6 m-85 -90.84 128.66 36.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.574 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 75.4 m -76.21 105.62 7.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 68' ' ' ILE . 32.0 mm -85.48 147.68 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -137.61 117.65 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -79.94 137.72 36.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 72' ' ' LYS . 3.5 ppp? -139.33 177.83 7.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.45 ' N ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -121.8 147.25 46.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.27 142.49 31.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.9 p -129.29 12.5 6.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 110.349 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.81 -139.95 6.13 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -97.22 -38.28 9.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 109.268 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.404 ' O ' ' OE2' ' A' ' 78' ' ' GLU . 22.4 p -106.04 130.6 53.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.41 ' HB3' ' CE ' ' A' ' 71' ' ' MET . 32.3 mm-40 -126.37 160.89 29.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 34' ' ' VAL . 8.2 p -147.52 147.73 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.55 ' CD1' HD12 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -142.04 123.86 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 4.0 m -90.11 96.29 10.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.906 HD21 ' CG2' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -69.91 106.16 3.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.63 -179.37 5.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.655 ' O ' HD23 ' A' ' 85' ' ' LEU . 9.0 m-20 63.85 67.65 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 84' ' ' ASN . 19.6 mt -128.2 -171.17 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.88 161.99 14.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 88' ' ' PHE . 7.4 mttt -79.06 135.0 36.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 115' ' ' LEU . 15.1 t80 36.71 63.35 0.67 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.4 ' N ' ' OG1' ' A' ' 114' ' ' THR . . . -136.62 135.21 38.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.478 ' CG ' ' HB3' ' A' ' 111' ' ' ASN . 4.3 tt0 -74.19 130.27 39.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 5.1 m-85 -131.6 123.11 27.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.03 104.54 3.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 54' ' ' GLY . 0.2 OUTLIER -111.5 157.11 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.729 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 15.4 m -122.01 178.91 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.548 HG12 ' HG3' ' A' ' 19' ' ' PRO . 21.4 t -147.1 135.57 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -148.18 140.85 24.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 1.056 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.19 118.86 30.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 5.5 p90 -107.23 129.87 54.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 99' ' ' ASN . 0.5 OUTLIER -124.47 164.22 20.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -24.95 38.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.37 -19.81 60.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.26 -166.87 29.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.401 HG23 ' CB ' ' A' ' 98' ' ' PHE . 4.8 m -114.46 142.69 46.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 0.796 . . . . 0.0 110.399 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -94.36 175.56 34.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.77 42.26 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.67 167.97 15.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.1 170.66 9.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.29 115.13 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.9 129.91 44.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.704 HG22 ' H ' ' A' ' 111' ' ' ASN . 0.3 OUTLIER -104.41 -162.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.704 ' H ' HG22 ' A' ' 110' ' ' ILE . 84.3 m-20 -152.74 139.77 19.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -156.11 97.06 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 114' ' ' THR . 23.9 m -67.57 123.35 20.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.435 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 113' ' ' THR . 4.7 p -49.99 -177.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 88' ' ' PHE . 0.4 OUTLIER -83.26 174.56 10.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.94 -1.0 26.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.7 t 168.26 126.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 60.2 -172.97 5.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -164.29 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.4 t -95.05 -56.99 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.23 116.75 33.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.21 87.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 110.0 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -148.88 123.49 9.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.56 154.1 45.91 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 p -157.17 149.59 23.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.75 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 p -108.08 100.58 9.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.32 133.58 2.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.8 mt -103.68 71.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.5 m -150.93 88.75 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.963 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 10' ' ' THR . 22.6 m -93.54 16.21 14.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -125.87 95.5 4.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -96.0 175.43 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.34 147.17 49.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.84 157.61 0.32 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 149.54 36.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.685 ' O ' HD22 ' A' ' 43' ' ' LEU . 8.7 m-20 -123.07 57.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.479 ' HA3' HD13 ' A' ' 43' ' ' LEU . . . 163.22 135.93 1.9 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 174.39 12.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.58 24.51 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -108.53 159.56 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.9 t0 61.0 47.73 7.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.487 HG12 HD11 ' A' ' 110' ' ' ILE . 6.2 t -86.16 105.82 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -149.36 153.06 36.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.87 HD12 HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.4 158.97 16.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.83 115.69 3.24 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.447 ' HB2' ' CD1' ' A' ' 115' ' ' LEU . 18.2 Cg_endo -75.01 109.67 2.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.802 HG23 HG23 ' A' ' 28' ' ' THR . 2.9 m -102.79 -38.31 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.802 HG23 HG23 ' A' ' 27' ' ' VAL . 13.3 p -111.29 -170.93 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.2 m -89.01 -36.67 15.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -123.37 45.41 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.497 ' CB ' ' OG1' ' A' ' 28' ' ' THR . 0.7 OUTLIER -167.44 151.56 6.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.406 HG21 ' HB3' ' A' ' 24' ' ' LEU . 79.3 mt -135.64 145.08 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.446 HE21 HG21 ' A' ' 79' ' ' VAL . 21.0 tt0 -96.96 122.56 40.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.87 HG22 HD12 ' A' ' 24' ' ' LEU . 42.5 t -108.76 122.88 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.09 135.48 51.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.388 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.533 ' CE3' HG11 ' A' ' 95' ' ' VAL . 14.5 p90 -149.22 170.16 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 108.03 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -124.91 158.91 32.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . . . -39.94 143.71 0.58 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.323 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.02 -179.23 4.79 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.771 ' HB2' HD12 ' A' ' 43' ' ' LEU . 2.4 mptp? -38.5 145.67 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' O ' ' OE1' ' A' ' 44' ' ' GLN . 36.2 tptt -68.35 -57.27 6.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -84.09 48.15 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.771 HD12 ' HB2' ' A' ' 40' ' ' LYS . 15.0 mt -147.58 -45.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' LEU . 4.0 mt-30 -33.08 -41.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 58.91 57.03 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.68 -177.01 29.09 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.113 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 48' ' ' ILE . 9.6 p -67.42 161.08 3.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.908 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.6 mm -110.61 127.45 67.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -79.99 -32.34 39.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.607 ' C ' ' CE2' ' A' ' 98' ' ' PHE . . . 177.16 179.76 47.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.908 ' CE1' HG21 ' A' ' 48' ' ' ILE . 18.2 m-85 -135.21 147.04 49.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.664 ' C ' HD12 ' A' ' 53' ' ' ILE . 37.6 mt-30 -98.22 151.54 20.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.342 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.861 HG21 HD11 ' A' ' 82' ' ' LEU . 4.3 mp -131.79 102.56 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.418 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -96.31 109.38 3.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.559 ' HB2' HG12 ' A' ' 93' ' ' VAL . 23.2 p90 -124.51 141.88 51.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 110.972 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.58 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.7 152.91 27.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.337 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -48.03 147.66 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.43 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 3.1 t-20 -96.66 36.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.09 159.91 28.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 115.49 4.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 60.82 56.59 23.32 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.125 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 63' ' ' ASN . 64.2 m -75.41 -2.04 26.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.953 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 62' ' ' SER . 40.6 m-20 39.18 39.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.23 85.1 0.33 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -41.41 135.52 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.774 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.58 ' CD1' ' HG2' ' A' ' 56' ' ' ARG . 11.6 m-85 -42.16 112.41 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.405 ' CB ' ' CE1' ' A' ' 55' ' ' TYR . 36.4 m -64.62 105.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.418 HD13 ' CA ' ' A' ' 54' ' ' GLY . 42.5 mm -84.99 147.62 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.629 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -149.07 112.81 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.32 146.9 31.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.479 ' HB3' ' CE1' ' A' ' 80' ' ' TYR . 8.0 ptm -157.58 149.88 22.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.52 152.25 32.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.42 115.15 26.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 76.9 p -58.98 -41.66 88.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.345 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 176.46 -132.32 2.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.35 -41.84 94.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.8 p -112.52 148.84 33.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 14.5 mp0 -137.73 150.89 47.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 34' ' ' VAL . 7.2 p -149.26 146.91 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.479 ' CE1' ' HB3' ' A' ' 71' ' ' MET . 27.7 t80 -140.09 128.0 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m -82.67 104.16 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.861 HD11 HG21 ' A' ' 53' ' ' ILE . 64.2 mt -86.01 106.47 17.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.72 -177.64 3.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.41 ' O ' HD23 ' A' ' 85' ' ' LEU . 9.6 m-80 62.4 62.7 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 84' ' ' ASN . 44.9 mt -121.23 -172.23 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.4 161.18 13.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -91.03 129.94 36.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.2 t80 46.0 66.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.54 143.78 25.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -74.51 141.76 44.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -141.71 133.71 27.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -117.33 107.26 1.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.559 HG12 ' HB2' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -109.7 161.63 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 107' ' ' SER . 1.2 m -132.1 139.84 49.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.533 HG11 ' CE3' ' A' ' 36' ' ' TRP . 10.1 t -113.2 146.59 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -153.15 149.43 28.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.893 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.28 128.5 37.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.609 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 1.1 p90 -124.19 131.58 53.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.435 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 22.5 p30 -124.55 178.36 5.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -66.12 -12.85 58.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.435 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . . . -82.96 -23.96 33.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 150.57 -153.29 24.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.105 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 m -125.25 143.18 51.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 110.361 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -89.31 -173.26 46.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 162.5 37.01 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 83.9 p -86.56 150.31 24.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.44 ' O ' HG12 ' A' ' 94' ' ' VAL . 83.2 p -84.54 168.52 15.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.66 119.3 6.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -66.02 112.52 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.734 HD13 HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -89.1 -163.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.46 ' H ' HG22 ' A' ' 110' ' ' ILE . 7.5 p-10 -152.48 135.36 15.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.54 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -150.24 91.93 1.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.8 m -61.85 132.24 52.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.69 167.55 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.403 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -65.44 174.18 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.241 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.12 2.22 32.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.59 125.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 149.08 178.41 24.09 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 140.91 26.12 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.478 1.778 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.9 p -106.63 162.96 13.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.087 . . . . 0.0 109.998 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.1 m -104.47 146.88 28.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 111.037 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -153.37 81.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -152.63 144.39 23.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.84 89.18 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -87.93 169.83 11.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 0.731 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -150.52 -57.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.976 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.37 -154.31 16.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.574 HG22 ' O ' ' A' ' 8' ' ' ILE . 64.2 mt -85.45 66.2 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.772 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.2 p -172.12 110.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 10' ' ' THR . 31.3 m -87.99 16.35 6.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.424 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -127.26 96.21 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -53.09 172.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.89 145.23 50.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.13 159.09 2.14 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.53 35.43 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -120.96 56.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.15 137.31 2.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 168.34 25.06 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.7 mtp -111.67 171.49 7.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.0 t0 52.24 45.31 28.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.602 HG11 ' OG ' ' A' ' 107' ' ' SER . 8.6 t -85.63 106.13 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.402 ' C ' HD13 ' A' ' 24' ' ' LEU . 3.5 t -146.05 150.61 36.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.419 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.782 HD21 HD13 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -104.69 166.33 10.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -167.28 115.91 0.68 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 109.73 2.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.505 1.792 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.736 HG23 HG23 ' A' ' 28' ' ' THR . 3.4 m -93.41 -33.85 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.736 HG23 HG23 ' A' ' 27' ' ' VAL . 42.2 p -116.8 -148.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 p -108.01 -32.32 7.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.031 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -124.82 45.42 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.446 ' O ' ' CG1' ' A' ' 32' ' ' ILE . 1.1 p -163.49 170.03 17.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.594 HD11 HG22 ' A' ' 114' ' ' THR . 28.0 mt -154.75 138.96 8.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -92.2 110.47 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.743 HG22 HD12 ' A' ' 24' ' ' LEU . 39.9 t -99.1 109.6 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.454 ' CG2' HG23 ' A' ' 79' ' ' VAL . 1.1 p -112.11 136.17 51.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.622 ' CD2' HG11 ' A' ' 95' ' ' VAL . 38.1 p90 -148.42 161.56 41.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 107.994 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . 18.3 mttt -118.27 155.42 30.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 76' ' ' ASP . . . -39.49 144.73 0.46 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.89 171.59 17.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -39.19 131.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.08 -42.31 99.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.23 -3.55 27.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 mt -117.5 31.88 6.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -117.71 93.85 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -75.18 60.46 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.92 175.91 32.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.523 HG22 ' N ' ' A' ' 48' ' ' ILE . 10.4 p -52.63 168.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.795 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.1 mm -116.53 132.6 65.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 49' ' ' ARG . 4.9 mmm180 -83.07 -33.03 26.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 173.24 176.68 41.94 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.977 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 7.5 m-85 -131.36 136.81 48.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.741 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.489 ' C ' HD12 ' A' ' 53' ' ' ILE . 58.3 mt-30 -84.61 142.43 29.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 1.048 ' CG2' HD21 ' A' ' 82' ' ' LEU . 3.9 mp -120.85 96.08 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -91.62 118.76 5.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.534 ' CD2' ' HG ' ' A' ' 82' ' ' LEU . 48.2 p90 -134.94 139.82 45.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.766 . . . . 0.0 111.035 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.577 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -156.34 157.35 35.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.494 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 3.1 tt0 -54.61 130.22 39.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -92.08 37.25 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.38 152.15 83.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 91.55 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.801 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.06 36.51 2.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.3 149.49 27.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.982 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -134.52 70.66 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.94 97.84 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.133 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -38.61 124.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 9.1 m-85 -39.34 114.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.2 m -62.42 107.32 0.9 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.462 HD13 ' CA ' ' A' ' 54' ' ' GLY . 35.7 mm -88.74 147.22 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.579 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -140.41 119.73 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -80.69 137.53 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 78' ' ' GLU . 1.3 ppp? -144.71 -178.45 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.523 ' HE3' HG22 ' A' ' 74' ' ' THR . 0.0 OUTLIER -122.79 150.32 42.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.97 125.57 29.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 109.343 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.523 HG22 ' HE3' ' A' ' 72' ' ' LYS . 43.7 p -108.7 31.18 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.01 -156.66 22.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.147 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -73.33 -30.04 63.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 0.746 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 p -118.36 151.4 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.413 1.071 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.462 ' HB3' ' CE ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -137.8 163.4 31.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.454 HG23 ' CG2' ' A' ' 35' ' ' THR . 13.8 p -151.72 148.89 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.58 ' CD1' HD12 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -146.0 130.68 17.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.8 m -96.32 92.87 6.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.42 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.048 HD21 ' CG2' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -70.44 106.76 3.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -95.13 -172.12 2.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 61.54 55.68 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.456 HD12 HG13 ' A' ' 32' ' ' ILE . 26.6 mt -116.58 179.39 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.23 150.26 21.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -82.22 122.14 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 116' ' ' GLU . 5.1 t80 62.52 63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.81 139.77 20.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -75.78 138.07 40.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.494 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 15.1 m-85 -138.49 132.29 31.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -115.42 108.18 1.85 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.468 HG12 ' HB2' ' A' ' 55' ' ' TYR . 1.0 OUTLIER -103.66 164.19 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.0 m -138.86 122.02 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.622 HG11 ' CD2' ' A' ' 36' ' ' TRP . 20.0 t -95.06 146.76 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -150.68 146.1 26.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.977 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.2 121.69 33.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -119.87 132.44 55.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -124.29 178.32 5.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -63.4 -19.01 64.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.72 -24.47 49.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.4 -158.98 27.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.456 HG23 ' CB ' ' A' ' 98' ' ' PHE . 2.2 m -118.26 145.75 44.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 0.782 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -100.9 -168.0 28.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.01 39.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.788 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.63 163.87 13.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.602 ' OG ' HG11 ' A' ' 22' ' ' VAL . 99.3 p -86.13 164.71 17.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.26 123.73 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -65.2 130.68 44.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.782 HD13 HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -114.33 -163.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -153.51 142.11 20.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.606 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -150.86 92.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 47.3 m -60.25 114.75 3.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.594 HG22 HD11 ' A' ' 32' ' ' ILE . 39.8 p -54.5 156.99 3.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.429 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.7 mt -48.82 150.21 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . 1.4 pt-20 -76.88 -0.79 25.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.254 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 65.53 88.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.961 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -157.97 158.02 28.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 56.39 4.23 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.3 t 39.71 85.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.2 t -109.3 109.23 20.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 p -174.52 137.69 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 0.0 109.974 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -175.63 157.27 2.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.41 72.25 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.5 89.23 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.96 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 m -143.92 169.19 18.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.45 62.45 0.63 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 55.1 mt -102.07 115.47 43.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.347 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.22 70.37 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.972 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 m 61.44 134.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.365 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 41.4 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.69 -178.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.68 146.47 26.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.61 161.17 0.52 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD3' ' ND2' ' A' ' 99' ' ' ASN . 18.4 Cg_endo -74.98 139.17 24.01 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.784 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -109.66 45.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.403 ' HA2' ' HD3' ' A' ' 18' ' ' PRO . . . 178.78 142.32 4.78 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.569 1.168 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.98 174.29 13.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 168.32 25.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.3 mtp -107.55 162.92 13.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.6 t70 56.09 50.63 13.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 t -88.63 106.17 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.5 t -146.25 151.45 37.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.386 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.88 HD12 HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -103.9 164.72 11.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -160.91 115.48 1.34 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.81 2.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.438 1.757 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.83 HG23 HG23 ' A' ' 28' ' ' THR . 6.4 m -88.12 -35.79 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.83 HG23 HG23 ' A' ' 27' ' ' VAL . 30.1 p -120.6 -148.99 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.46 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.41 -23.22 10.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -126.57 40.44 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.346 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -164.97 168.39 17.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.2 mt -153.33 137.48 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.48 HE21 HG21 ' A' ' 79' ' ' VAL . 56.6 tt0 -93.32 129.17 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.88 HG22 HD12 ' A' ' 24' ' ' LEU . 43.2 t -116.36 113.81 44.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.1 p -113.77 134.35 54.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.392 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.615 ' CD2' HG11 ' A' ' 95' ' ' VAL . 28.3 p90 -146.78 176.95 9.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -135.14 162.13 33.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -43.96 140.36 2.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.98 171.64 17.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.5 1.79 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -39.84 157.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.87 -51.25 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -65.04 -11.16 36.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.275 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -106.09 -20.31 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.439 ' HG2' HD11 ' A' ' 48' ' ' ILE . 1.2 mt-30 -50.51 -47.11 57.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 59.88 42.62 16.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.43 -158.84 14.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.485 HG22 ' H ' ' A' ' 48' ' ' ILE . 9.0 p -90.58 169.75 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.715 HG21 ' CE1' ' A' ' 51' ' ' TYR . 5.1 mm -113.76 150.09 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -115.32 -34.28 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.57 ' HA3' ' CZ ' ' A' ' 98' ' ' PHE . . . -174.7 172.03 45.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 1.015 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 6.0 m-85 -131.42 151.78 51.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.421 ' NE2' HG21 ' A' ' 68' ' ' ILE . 41.8 mt-30 -105.14 134.58 48.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.822 HG21 HD21 ' A' ' 82' ' ' LEU . 4.5 mp -111.78 105.87 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.574 ' HA2' HD13 ' A' ' 68' ' ' ILE . . . -97.02 107.44 3.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.521 ' HB2' HG12 ' A' ' 93' ' ' VAL . 27.9 p90 -124.77 142.89 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.21 145.42 20.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -60.51 138.71 57.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -95.95 38.76 1.16 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.89 168.44 16.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.05 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 106.31 2.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 161.59 -48.2 0.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.0 t -52.86 136.62 33.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 0.768 . . . . 0.0 110.049 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' A' ' 65' ' ' GLN . 8.8 p-10 -45.91 -31.9 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.15 -50.99 0.74 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.415 ' HB2' ' ND2' ' A' ' 63' ' ' ASN . 18.1 mt-30 -56.57 122.49 12.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 56' ' ' ARG . 6.1 m-85 -57.17 119.08 5.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.495 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 14.9 m -62.78 107.25 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.574 HD13 ' HA2' ' A' ' 54' ' ' GLY . 32.6 mm -89.63 148.58 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.706 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -144.27 112.94 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.35 136.42 35.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.1 ptm -153.02 152.42 31.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 149.61 26.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.36 137.26 34.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.1 p -91.62 28.12 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.415 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 125.01 -140.35 12.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -72.93 -22.6 60.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 0.752 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.408 ' C ' ' CD ' ' A' ' 78' ' ' GLU . 76.6 p -119.4 153.31 35.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 36' ' ' TRP . 17.5 mp0 -147.04 156.44 43.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 34' ' ' VAL . 9.2 p -151.09 148.9 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.427 ' CD2' HD13 ' A' ' 82' ' ' LEU . 21.1 t80 -146.5 133.79 20.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 111.068 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.2 m -102.7 109.29 20.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.425 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.822 HD21 HG21 ' A' ' 53' ' ' ILE . 2.7 mm? -78.7 106.68 10.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.4 OUTLIER -93.83 160.15 14.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 5.1 m-20 81.02 55.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.5 mt -118.85 172.52 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.454 ' HG2' ' HB2' ' A' ' 89' ' ' ALA . 15.5 tttm -87.07 157.76 19.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -90.65 127.54 36.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' CE2' ' OE2' ' A' ' 116' ' ' GLU . 6.9 t80 57.71 44.36 20.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.053 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.454 ' HB2' ' HG2' ' A' ' 86' ' ' LYS . . . -125.72 142.78 51.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -74.95 133.58 41.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 18.7 m-85 -135.9 127.9 29.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -113.21 100.26 1.07 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.521 HG12 ' HB2' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -100.72 163.4 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.27 128.43 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.615 HG11 ' CD2' ' A' ' 36' ' ' TRP . 11.5 t -98.42 148.13 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -153.36 139.86 18.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 1.015 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.2 133.54 35.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.608 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 2.3 p90 -129.17 137.21 51.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.425 ' ND2' ' HD3' ' A' ' 15' ' ' PRO . 10.5 p30 -124.2 178.31 5.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -64.33 -13.15 48.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.35 -18.52 31.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.46 -169.58 25.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.1 m -108.07 153.58 22.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -102.03 -175.84 27.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 157.3 42.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.8 p -82.29 160.22 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.46 176.77 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.574 1.171 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.82 118.31 6.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -65.04 120.35 12.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.76 HD13 HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -99.78 -163.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.409 ' H ' HG22 ' A' ' 110' ' ' ILE . 13.0 p-10 -151.77 138.06 18.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.525 ' CB ' ' HB2' ' A' ' 24' ' ' LEU . . . -152.05 100.0 2.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 41.1 m -68.61 127.93 34.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.439 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.68 164.81 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 115' ' ' LEU . 10.5 mt -57.14 142.76 41.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.565 ' OE2' ' CE2' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -86.06 77.09 9.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.62 91.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.021 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 51.03 -175.8 0.07 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.504 1.128 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 110.83 3.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.45 1.763 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.7 t -141.94 -56.16 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.946 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.1 t -53.99 147.9 11.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.8 p -169.38 155.49 6.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 0.761 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.82 148.88 9.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.961 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.86 171.4 20.89 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 t -156.15 116.25 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 110.029 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -175.6 128.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.7 108.96 0.39 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.8 mm -107.04 144.27 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 m 44.83 82.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.532 HG22 ' O ' ' A' ' 10' ' ' THR . 33.2 m -89.3 16.28 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -126.01 95.45 4.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -102.95 174.9 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.497 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . . . -158.37 142.7 15.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.05 151.17 0.94 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 121.18 6.44 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -91.85 35.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.706 ' HA3' HD13 ' A' ' 43' ' ' LEU . . . -173.07 137.23 4.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HD3' ' HA2' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -75.02 173.57 14.29 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.66 ' HG3' HG12 ' A' ' 95' ' ' VAL . 18.3 Cg_endo -75.03 150.58 38.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 37' ' ' LYS . 38.6 mtp -107.95 168.65 9.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.5 t0 56.14 27.21 11.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.767 HG23 HD13 ' A' ' 110' ' ' ILE . 1.2 m -85.47 118.26 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.4 t -153.57 146.79 24.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.408 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.05 HD12 HG22 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -89.19 164.98 14.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -160.35 116.88 1.46 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.43 ' HB2' ' CD2' ' A' ' 115' ' ' LEU . 18.4 Cg_endo -74.96 114.52 4.05 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.525 HG23 HG23 ' A' ' 28' ' ' THR . 1.5 m -107.44 -36.0 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.525 HG23 HG23 ' A' ' 27' ' ' VAL . 42.2 p -119.25 -164.83 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 p -91.04 -40.94 11.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.421 ' C ' ' HG ' ' A' ' 31' ' ' SER . 77.4 mt-30 -121.88 52.24 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.421 ' HG ' ' C ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -174.34 140.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.485 HG13 HD12 ' A' ' 85' ' ' LEU . 85.7 mt -133.4 149.03 30.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 58.8 tt0 -95.53 145.89 24.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.05 HG22 HD12 ' A' ' 24' ' ' LEU . 21.7 t -130.36 106.12 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.567 ' CG2' HG23 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -114.56 132.86 56.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.375 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.596 ' CH2' HD11 ' A' ' 53' ' ' ILE . 48.1 p90 -142.94 177.27 8.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 107.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' MET . 7.3 mttt -128.78 164.9 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . . . -44.48 137.12 4.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.02 105.92 2.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.458 1.767 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 0.7 OUTLIER 47.65 -174.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -113.79 -52.41 2.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -90.68 36.37 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.706 HD13 ' HA3' ' A' ' 17' ' ' GLY . 13.6 mt -131.02 -41.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' A' ' 43' ' ' LEU . 5.5 mt-30 -32.46 -44.54 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 58.95 46.59 13.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.98 160.15 20.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.7 t -48.64 155.39 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.603 HG21 ' CE1' ' A' ' 51' ' ' TYR . 4.7 mm -104.49 134.64 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -85.35 -27.91 25.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.437 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 170.46 -178.08 43.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 1.022 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 9.2 m-85 -135.56 154.51 51.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -107.68 130.47 54.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.596 HD11 ' CH2' ' A' ' 36' ' ' TRP . 4.4 mp -113.51 101.34 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.5 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -97.65 107.57 3.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.481 ' CB ' ' HB ' ' A' ' 93' ' ' VAL . 53.6 p90 -121.32 144.98 48.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -156.96 145.94 20.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.531 ' HA ' ' CD1' ' A' ' 91' ' ' TYR . 1.6 tt0 -47.44 126.63 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -91.25 45.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.52 153.45 40.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 104.35 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.547 1.814 . . . . 0.0 110.966 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.81 36.79 4.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 m -84.33 -176.59 6.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -53.65 -63.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.69 -59.01 0.56 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.456 1.097 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -52.02 119.93 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.578 ' CE2' ' HG2' ' A' ' 56' ' ' ARG . 7.8 m-85 -77.32 120.19 22.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.1 m -66.7 106.69 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.956 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.5 HD13 ' CA ' ' A' ' 54' ' ' GLY . 35.5 mm -90.97 141.76 13.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.593 HG23 ' HB ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -134.16 112.06 15.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -86.08 134.7 33.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 110.255 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.417 ' SD ' ' O ' ' A' ' 72' ' ' LYS . 3.1 ppp? -141.77 -174.36 4.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' O ' ' SD ' ' A' ' 71' ' ' MET . 3.6 mttm -104.21 158.96 16.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.2 96.9 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.0 p -53.68 -50.72 65.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -152.82 -134.19 2.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.574 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 69.9 m-20 -76.63 -35.3 58.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.401 ' O ' ' OE2' ' A' ' 78' ' ' GLU . 59.8 p -113.7 154.05 27.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.535 ' HB2' ' CZ2' ' A' ' 36' ' ' TRP . 28.1 mm-40 -139.64 169.12 18.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.567 HG23 ' CG2' ' A' ' 35' ' ' THR . 7.5 p -151.15 150.67 13.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.473 ' CD1' HD12 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -147.23 136.81 22.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.2 m -104.55 94.54 5.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.426 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.496 HD21 ' CG2' ' A' ' 53' ' ' ILE . 0.2 OUTLIER -69.66 121.05 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -115.12 167.75 10.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER 79.07 45.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.485 HD12 HG13 ' A' ' 32' ' ' ILE . 22.7 mt -104.85 -170.78 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.93 -171.81 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -107.59 131.49 54.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.492 ' CG ' ' OE1' ' A' ' 116' ' ' GLU . 6.7 t80 39.08 65.27 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.72 139.77 31.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -74.28 134.06 42.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 12.0 m-85 -134.41 123.06 23.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 111.02 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.8 133.26 11.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 94' ' ' VAL . 0.2 OUTLIER -135.5 163.22 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.491 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 10.9 m -136.26 119.45 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.66 HG12 ' HG3' ' A' ' 19' ' ' PRO . 37.1 t -90.09 140.65 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -153.62 137.29 16.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 1.022 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -91.44 134.84 34.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.543 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 7.1 p90 -128.09 136.59 51.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -124.7 177.73 5.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -62.05 -23.42 66.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.497 ' HB1' ' HA ' ' A' ' 13' ' ' ALA . . . -75.76 -25.0 56.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 143.42 -176.2 23.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.2 m -98.81 157.02 16.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.759 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -111.87 -167.66 18.09 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.502 1.126 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.0 41.87 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.15 160.15 14.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.45 ' OG ' HG21 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -74.79 179.03 5.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -65.05 122.89 18.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 108' ' ' SER . 39.8 tt0 -37.85 104.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.838 HD12 ' CD2' ' A' ' 24' ' ' LEU . 9.0 pt -95.28 171.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 5.7 p-10 -154.63 174.92 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . 176.1 110.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 m -77.82 130.05 36.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 110.42 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.413 HG23 HD11 ' A' ' 32' ' ' ILE . 4.7 p -57.86 172.23 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.445 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -75.56 177.63 6.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.492 ' OE1' ' CG ' ' A' ' 88' ' ' PHE . 10.2 mm-40 -83.04 0.41 45.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.45 -176.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -80.25 158.96 42.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.7 41.35 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.15 162.6 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.051 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.87 153.34 35.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 t -62.79 109.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 0.0 110.037 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.64 143.69 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.07 65.76 0.57 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.03 115.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.777 . . . . 0.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 p -140.39 158.26 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.041 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.02 -136.17 1.95 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mt -74.41 113.0 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 m -112.38 41.86 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 11' ' ' GLU . 3.0 m -90.05 -144.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.468 ' H ' HG22 ' A' ' 10' ' ' THR . 6.7 pt-20 -178.55 126.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -57.16 -174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.94 156.15 47.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.493 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -50.14 164.35 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.11 132.67 15.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -103.0 40.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.14 136.9 4.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.28 13.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.565 ' HG3' HG12 ' A' ' 95' ' ' VAL . 18.2 Cg_endo -75.03 164.85 32.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.9 mtp -119.52 166.42 13.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t0 52.28 29.98 7.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.842 HG23 HD13 ' A' ' 110' ' ' ILE . 1.1 m -84.85 119.8 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.1 t -151.27 164.41 36.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.839 ' CD2' HG22 ' A' ' 34' ' ' VAL . 87.6 mt -107.83 167.34 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -166.93 121.28 0.84 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.438 ' HB2' ' CD2' ' A' ' 115' ' ' LEU . 18.3 Cg_endo -75.03 117.15 4.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.557 1.82 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.621 HG23 HG23 ' A' ' 28' ' ' THR . 2.1 m -102.49 -36.91 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.621 HG23 HG23 ' A' ' 27' ' ' VAL . 18.4 p -124.91 -151.83 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.6 m -112.7 -11.22 13.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -134.65 28.17 3.62 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -159.7 166.66 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.602 HG13 HD12 ' A' ' 85' ' ' LEU . 53.9 mt -152.79 142.07 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -89.52 145.21 25.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.839 HG22 ' CD2' ' A' ' 24' ' ' LEU . 21.5 t -134.22 113.51 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.63 134.96 54.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.469 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CH2' HD11 ' A' ' 53' ' ' ILE . 27.4 p90 -148.18 163.06 38.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 107.961 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.7 159.0 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 76' ' ' ASP . . . -44.97 145.83 1.53 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -74.98 167.66 26.56 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.772 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -37.24 149.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -76.88 -44.16 33.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.81 -1.82 23.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 44.0 mt -118.15 3.91 12.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -70.27 -39.55 74.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 50.81 37.06 16.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.57 -161.73 16.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.55 HG22 ' H ' ' A' ' 48' ' ' ILE . 6.2 p -89.96 171.94 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 0.756 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.55 ' H ' HG22 ' A' ' 47' ' ' VAL . 3.0 mm -117.38 133.97 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -96.16 -28.29 14.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.571 ' HA3' ' CZ ' ' A' ' 98' ' ' PHE . . . 179.33 173.53 44.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.953 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 5.8 m-85 -129.16 151.95 49.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.421 ' NE2' HG21 ' A' ' 68' ' ' ILE . 54.9 mt-30 -106.86 128.85 54.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.718 ' O ' HG22 ' A' ' 69' ' ' VAL . 4.9 mp -111.06 102.88 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.486 ' CA ' HD13 ' A' ' 68' ' ' ILE . . . -94.62 107.65 3.57 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.084 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.572 ' CE1' HD12 ' A' ' 82' ' ' LEU . 34.0 p90 -124.0 142.68 50.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 0.812 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.575 ' HG2' ' CD1' ' A' ' 66' ' ' TYR . 1.5 ptm180 -156.92 143.31 18.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.52 ' HG3' ' CZ ' ' A' ' 91' ' ' TYR . 1.2 tt0 -51.79 146.52 7.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -93.97 34.68 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.58 167.35 37.0 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.37 3.54 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 39.1 57.11 2.13 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.04 2.22 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 39.92 52.46 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -113.46 81.24 0.29 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -39.9 129.46 2.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.783 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CD1' ' HG2' ' A' ' 56' ' ' ARG . 14.5 m-85 -39.79 108.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.5 m -62.53 108.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.486 HD13 ' CA ' ' A' ' 54' ' ' GLY . 39.9 mm -86.08 144.41 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.731 HG21 HD11 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -139.18 113.11 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -84.1 130.01 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' A' ' 80' ' ' TYR . 7.3 ptm -144.62 148.42 34.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -72.26 150.18 43.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.38 109.16 20.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 77' ' ' SER . 46.3 p -52.24 -26.86 12.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.401 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.91 -136.01 4.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.555 1.159 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.59 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 81.4 m-20 -61.57 -33.75 74.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.76 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.415 ' O ' ' OG1' ' A' ' 74' ' ' THR . 12.3 p -119.56 150.29 40.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.453 ' OE1' ' NE1' ' A' ' 36' ' ' TRP . 6.9 mp0 -141.46 161.95 36.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 34' ' ' VAL . 7.5 p -151.91 149.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.458 ' CD1' ' SD ' ' A' ' 71' ' ' MET . 13.1 t80 -146.61 149.1 32.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -118.17 107.16 13.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.412 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.731 HD11 HG21 ' A' ' 69' ' ' VAL . 2.7 mm? -77.38 106.16 8.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 0.3 OUTLIER -93.79 164.67 13.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' ' 83' ' ' ASP . 10.1 m-80 78.49 49.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.602 HD12 HG13 ' A' ' 32' ' ' ILE . 21.0 mt -112.86 162.98 15.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 176.9 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -100.75 133.59 44.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.415 ' N ' ' OG1' ' A' ' 114' ' ' THR . 6.1 t80 44.71 66.95 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.98 137.71 25.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -74.57 120.97 20.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.52 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 9.9 m-85 -119.81 123.31 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -106.12 126.03 8.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.534 ' CG1' ' CB ' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -129.2 164.11 32.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.6 122.36 52.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.565 HG12 ' HG3' ' A' ' 19' ' ' PRO . 39.6 t -89.37 146.16 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -152.88 136.63 16.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.953 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . . . -93.53 131.8 38.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.571 ' CZ ' ' HA3' ' A' ' 50' ' ' GLY . 1.6 p90 -124.79 138.71 54.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.411 ' ND2' ' HD3' ' A' ' 15' ' ' PRO . 25.1 p30 -122.23 178.5 4.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -27.68 64.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.74 -21.79 61.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.84 -159.02 26.42 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.538 HG23 ' HB3' ' A' ' 98' ' ' PHE . 11.5 m -109.32 153.7 23.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.98 -162.81 21.16 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 164.9 32.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.3 157.93 16.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 108' ' ' SER . 2.4 p -85.85 167.07 15.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 107' ' ' SER . 0.9 OUTLIER -39.9 159.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -81.92 84.31 6.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.842 HD13 HG23 ' A' ' 22' ' ' VAL . 23.7 pt -68.79 169.38 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 8.1 m-80 -153.16 173.55 15.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.685 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . 178.49 97.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.2 m -67.64 126.99 31.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 88' ' ' PHE . 4.9 p -55.85 171.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.4 OUTLIER -75.53 176.76 7.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.43 1.82 27.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.1 m 52.98 99.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.029 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.08 161.76 29.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.572 1.17 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 105.96 2.18 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.777 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 t -124.15 169.05 12.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.027 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.42 142.81 51.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.943 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.97 . . . . . . . . 0 0 . 1 stop_ save_